SCHEMBL17672982

SCHEMBL17672982

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

nearest known ligand 0.67

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 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 known ✓ P35354 3/20 0.41
▸ ALOX5 known ✓ P09917 1/20 0.36
▸ GPR84 Q9NQS5 2/20 0.67
▸ CYP3A4 P08684 2/20 0.41
▸ RARB P10826 3/20 0.41
▸ RARA P10276 1/20 0.41
▸ RARG P13631 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ FUT7 Q11130 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ FAAH O00519 1/20 0.36

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
SCHEMBL19166235 0.85 GPR84 (0.50) GPR84PTGS2CYP3A4RARBRARA
SCHEMBL17672771 0.85 ALDH1A1 (0.54) GPR84PTGS2CYP3A4RARBRARA
SCHEMBL29700748 0.84 GPR84 (0.69) GPR84PTGS2CYP3A4ALDH1A1FUT7
SCHEMBL16050638 0.84 GPR84 (0.69) GPR84PTGS2CYP3A4ALDH1A1FUT7
SCHEMBL16050455 0.81 GPR84 (1.00) GPR84PTGS2CYP3A4RARBALDH1A1
SCHEMBL16050491 0.80 GPR84 (0.84) GPR84PTGS2CYP3A4RARBRARA
SCHEMBL17678267 0.79 GPR84 (0.50) GPR84CYP3A4RARBRARARARG
SCHEMBL19166902 0.78 GPR84 (0.49) GPR84PTGS2CYP3A4RARBRARA
SCHEMBL16050400 0.78 ALDH1A1 (0.57) GPR84CYP3A4RARBRARARARG
SCHEMBL17672767 0.78 PTGS2 (0.48) GPR84PTGS2CYP3A4ALDH1A1TRPV1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107106526-B Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration 普罗米蒂克医药SMT有限公司 2021-05-28 — — CN disclosed
CN-106999458-B Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of diabetes 普罗米蒂克医药SMT有限公司 2021-04-13 — — CN 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
EP-3203998-B1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF DIABETES LIMINAL BIOSCIENCES LTD (GB) 2021-03-10 — — EP 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-20200078324-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION Liminal Biosciences Limited (GB) 2020-03-12 — — 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-10105331-B2 Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of diabetes PROMETIC PHARMA SMT LIMITED (GB) 2018-10-23 — — 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-3203998-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF DIABETES PROMETIC PHARMA SMT LIMITED (GB) 2017-08-16 — — EP disclosed
US-20170209399-A1 Substituted Aromatic Compounds and Pharmaceutical Compositions For The Prevention And Treatment Of Diabetes PROMETIC PHARMA SMT LIMITED (GB) 2017-07-27 — — US 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-2016054726-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF DIABETES PROMETIC BIOSCIENCES INC. (CA) 2016-04-14 — — 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 (7 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 322/4885ALOX5 1125/4885GPR84 1983/4885
US-20170312237-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION CCNH, COL1A1, COL2A1 PTGS2 263/4885ALOX5 1136/4885GPR84 2125/4885
US-10391073-B2 Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration CCNH, COL1A1, COL2A1 PTGS2 263/4885ALOX5 1136/4885GPR84 2125/4885
US-10105331-B2 Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of diabetes GPR119, LIPC, INSR PTGS2 2425/4885ALOX5 1146/4885GPR84 1382/4885
US-10869849-B2 Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration COL1A1, CCNH, COL2A1 PTGS2 322/4885ALOX5 1125/4885GPR84 1983/4885
US-20170209399-A1 Substituted Aromatic Compounds and Pharmaceutical Compositions For The Prevention And Treatment Of Diabetes GPR119, LIPC, INSR PTGS2 2425/4885ALOX5 1146/4885GPR84 1382/4885
US-20200078324-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION COL1A1, COL2A1, CCNH PTGS2 397/4885ALOX5 1693/4885GPR84 2204/4885

“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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