SCHEMBL16050491

SCHEMBL16050491

CCCCCc1cc(F)cc(CC(=O)[O-])c1.[Na+]

nearest known ligand 0.84

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 known ✓ P35354 3/20 0.44
▸ GPR84 Q9NQS5 2/20 0.84
▸ TRPV1 Q8NER1 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RARB P10826 3/20 0.43
▸ RARA P10276 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ FUT7 Q11130 1/20 0.41
▸ PLK1 P53350 1/20 0.39
▸ PLK3 Q9H4B4 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ KAT8 Q9H7Z6 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16050455 0.92 GPR84 (1.00) GPR84PTGS2CYP3A4ALDH1A1RARB
SCHEMBL17683387 0.86 GPR84 (0.63) GPR84TRPV1PTGS2CYP3A4ALDH1A1
SCHEMBL16050465 0.85 GPR84 (0.62) GPR84TRPV1PTGS2CYP3A4ALDH1A1
SCHEMBL289972 0.85 GPR84 (0.87) GPR84PTGS2CYP3A4ALDH1A1FUT7
SCHEMBL19542665 0.85 GPR84 (0.62) GPR84TRPV1PTGS2CYP3A4ALDH1A1
SCHEMBL17672982 0.80 GPR84 (0.67) GPR84TRPV1PTGS2CYP3A4ALDH1A1
SCHEMBL17672951 0.80 GPR84 (0.77) GPR84PTGS2CYP3A4ALDH1A1FUT7
Setogepram SCHEMBL19095288 0.79 GPR84 (0.75) GPR84ALDH1A1KAT8
SCHEMBL9243315 0.78 PTGS2 (0.56) GPR84TRPV1PTGS2CYP3A4ALDH1A1
SCHEMBL17678363 0.76 GPR84 (0.73) GPR84PTGS2CYP3A4ALDH1A1RARB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267779-B2 Substituted aromatic compounds for the treatment of pulmonary fibrosis, liver fibrosis, skin fibrosis and cardiac fibrosis PROMETIC PHARMA SMT LIMITED (GB) 2022-03-08 — — US disclosed
US-11185521-B2 Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of osteoporosis Liminal Biosciences Limited (GB) 2021-11-30 — — US disclosed
US-20210085626-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION LIMINAL BIOSCIENCES LTD (GB) 2021-03-25 — — US disclosed
US-10869849-B2 Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration Liminal Biosciences Limited (GB) 2020-12-22 — — US disclosed
US-20200237693-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS LIMINAL BIOSCIENCES INC (GB) 2020-07-30 — — US disclosed
US-20200078324-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION Liminal Biosciences Limited (GB) 2020-03-12 — — US disclosed
US-10450258-B2 Substituted aromatic compounds for the treatment of pulmonary fibrosis, liver fibrosis, skin fibrosis and cardiac fibrosis PROMETIC PHARMA SMT LIMITED (GB) 2019-10-22 — — US disclosed
US-10391073-B2 Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration PROMETIC PHARMA SMT LIMITED (GB) 2019-08-27 — — US disclosed
US-20180134649-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS,SKIN FIBROSIS AND CARDIAC FIBROSIS PROMETIC PHARMA SMT LIMITED (GB) 2018-05-17 — — US disclosed
US-9884802-B2 Substituted aromatic compounds for the treatment pulmonary fibrosis, liver fibrosis, skin fibrosis and cardiac fibrosis PROMETIC PHARMA SMT LIMITED (GB) 2018-02-06 — — US disclosed
US-20170312237-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION Liminal Biosciences Limited (GB) 2017-11-02 — — US disclosed
EP-3217968-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION PROMETIC PHARMA SMT LIMITED (GB) 2017-09-20 — — EP disclosed
EP-3203999-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS PROMETIC PHARMA SMT LIMITED (GB) 2017-08-16 — — EP disclosed
WO-2016074068-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION PROMETIC BIOSCIENCES INC. (CA) 2016-05-19 — — WO disclosed
WO-2016054728-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS PROMETIC BIOSCIENCES INC. (CA) 2016-04-14 — — WO disclosed
US-20160023983-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS,SKIN FIBROSIS AND CARDIAC FIBROSIS PROMETIC BIOSCIENCES INC. (CA) 2016-01-28 — — US disclosed
EP-2970088-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS, SKIN FIBROSIS AND CARDIAC FIBROSIS ProMetic BioSciences Inc. (CA) 2016-01-20 — — EP disclosed
WO-2014138907-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS, SKIN FIBROSIS AND CARDIAC FIBROSIS PROMETIC BIOSCIENCES INC. (CA) 2014-09-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210085626-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION COL1A1, CCNH, COL2A1 PTGS2 322/4885GPR84 1983/4885TRPV1 3629/4885
US-20170312237-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION CCNH, COL1A1, COL2A1 PTGS2 263/4885GPR84 2125/4885TRPV1 3515/4885
US-20200237693-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS ADIPOR1, ADIPOR2, FN1 PTGS2 2609/4885GPR84 632/4885TRPV1 1628/4885
US-10391073-B2 Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration CCNH, COL1A1, COL2A1 PTGS2 263/4885GPR84 2125/4885TRPV1 3515/4885
US-10869849-B2 Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration COL1A1, CCNH, COL2A1 PTGS2 322/4885GPR84 1983/4885TRPV1 3629/4885
US-20160023983-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS,SKIN FIBROSIS AND CARDIAC FIBROSIS PAH, HRH3, CFH PTGS2 1591/4885GPR84 1263/4885TRPV1 1618/4885
US-10450258-B2 Substituted aromatic compounds for the treatment of pulmonary fibrosis, liver fibrosis, skin fibrosis and cardiac fibrosis PAH, HRH3, CFH PTGS2 1591/4885GPR84 1263/4885TRPV1 1618/4885
US-20200078324-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION COL1A1, COL2A1, CCNH PTGS2 397/4885GPR84 2204/4885TRPV1 3632/4885
US-20180134649-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS,SKIN FIBROSIS AND CARDIAC FIBROSIS PAH, HRH3, CFH PTGS2 1591/4885GPR84 1263/4885TRPV1 1618/4885
US-11185521-B2 Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of osteoporosis ADIPOR1, ADIPOR2, FN1 PTGS2 2609/4885GPR84 632/4885TRPV1 1628/4885
US-11267779-B2 Substituted aromatic compounds for the treatment of pulmonary fibrosis, liver fibrosis, skin fibrosis and cardiac fibrosis PAH, HRH3, CFH PTGS2 1591/4885GPR84 1263/4885TRPV1 1618/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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