SCHEMBL289200

SCHEMBL289200

CCCCCc1cccc(C(C)(C)C(=O)[O-])c1.[Na+]

nearest known ligand 0.53

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 7)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 5/20 0.53
PPARA Q07869 8/20 0.53
GPR84 Q9NQS5 2/20 0.49
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL19542672 0.85 PPARA (0.52) PPARAPPARGLPLLIPGHDAC1
SCHEMBL289829 0.85 PPARA (0.59) PPARAPPARGLPLLIPG
SCHEMBL290046 0.82 PPARA (0.52) PPARAPPARGLPLLIPGHDAC1
SCHEMBL20160762 0.80 PPARA (0.50) PPARAPPARGLPLLIPG
SCHEMBL10630891 0.79 PPARA (0.77) PPARAPPARGHDAC1
Setogepram SCHEMBL19095288 0.77 GPR84 (0.75) PPARAPPARGGPR84LPLLIPG
SCHEMBL6280362 0.77 LPL (0.54) PPARAPPARGLPLLIPG
SCHEMBL10628746 0.76 PPARA (0.77) PPARAPPARGHDAC1
SCHEMBL10625864 0.76 PPARA (0.77) PPARAPPARGHDAC1
SCHEMBL290173 0.75 PPARA (0.64) PPARAPPARGLPLLIPG

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 17 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-20210002202-A1 Substituted Aromatic Compounds and Pharmaceutical Uses Thereof PROMETIC BIOSCIENCES, INC. (CA) 2021-01-07 US disclosed
US-10815183-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2020-10-27 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-20180162799-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC PHARMA SMT LIMITED (GB) 2018-06-14 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-9938221-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2018-04-10 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
EP-2427416-B1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC PHARMA SMT LTD (GB) 2016-03-09 EP 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
US-20150094372-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF Liminal Biosciences Limited (GB) 2015-04-02 US disclosed
US-8927765-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC BIOSCIENCES INC. (CA) 2015-01-06 US 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
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2012-04-12 US disclosed
EP-2427416-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF ProMetic BioSciences Inc. (CA) 2012-03-14 EP disclosed
WO-2010127440-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC BIOSCIENCES INC. (CA) 2010-11-11 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 (9 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-20180162799-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF TYR, PAH, REN PPARG 212/4885PPARA 276/4885GPR84 1684/4885
US-10815183-B2 Substituted aromatic compounds and pharmaceutical uses thereof TYR, PAH, REN PPARG 212/4885PPARA 276/4885GPR84 1684/4885
US-20210002202-A1 Substituted Aromatic Compounds and Pharmaceutical Uses Thereof TYR, PAH, REN PPARG 212/4885PPARA 276/4885GPR84 1684/4885
US-20160023983-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS,SKIN FIBROSIS AND CARDIAC FIBROSIS PAH, HRH3, CFH PPARG 2346/4885PPARA 3243/4885GPR84 1263/4885
US-10450258-B2 Substituted aromatic compounds for the treatment of pulmonary fibrosis, liver fibrosis, skin fibrosis and cardiac fibrosis PAH, HRH3, CFH PPARG 2346/4885PPARA 3243/4885GPR84 1263/4885
US-20150094372-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF TYR, PAH, REN PPARG 212/4885PPARA 276/4885GPR84 1684/4885
US-20180134649-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS,SKIN FIBROSIS AND CARDIAC FIBROSIS PAH, HRH3, CFH PPARG 2346/4885PPARA 3243/4885GPR84 1263/4885
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof TYR, PAH, REN PPARG 212/4885PPARA 276/4885GPR84 1684/4885
US-11267779-B2 Substituted aromatic compounds for the treatment of pulmonary fibrosis, liver fibrosis, skin fibrosis and cardiac fibrosis PAH, HRH3, CFH PPARG 2346/4885PPARA 3243/4885GPR84 1263/4885

“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.