SCHEMBL4476684

SCHEMBL4476684

CC(C)C(SCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
GGPS1 O95749 1/20 0.41
C3AR1 Q16581 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN1 P18031 1/20 0.37
PDE7A Q13946 3/20 0.37
PDE7B Q9NP56 3/20 0.37
EPHX1 P07099 2/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
ECE1 P42892 1/20 0.35
CDC14B O60729 1/20 0.35
CDC14A Q9UNH5 1/20 0.35

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
SCHEMBL3888087 0.85 ALOX5 (0.42) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL3888286 0.85 ALOX5 (0.42) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL4472834 0.84 ACE (0.45) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL3888219 0.79 ALOX5 (0.44) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL3888226 0.79 ALOX5 (0.44) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL3866502 0.78 PPARA (0.42) ALOX5GGPS1C3AR1FNTAFNTB
SCHEMBL3866881 0.78 PPARA (0.42) ALOX5GGPS1C3AR1FNTAFNTB
SCHEMBL5197708 0.77 CYP2C19 (0.42) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL4459051 0.77 CYP2C19 (0.51) ALOX5GGPS1C3AR1MMP12MMP13
SCHEMBL4476792 0.77 ALOX5 (0.44) ALOX5GGPS1C3AR1MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006525365-A 2006-11-09 JP claimed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP claimed
US-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 US claimed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US 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 (1 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-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO ALOX5 1164/4885GGPS1 2760/4885C3AR1 3143/4885

“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.