SCHEMBL3869403

SCHEMBL3869403

CC(C)(C)OC(=O)NC(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)nc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.54
PPARG P37231 10/20 0.54
PPARD Q03181 2/20 0.52
ACE P12821 1/20 0.41
ICMT O60725 1/20 0.40
PTPN1 P18031 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
C3AR1 Q16581 1/20 0.38
CYP3A4 P08684 1/20 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
SCHEMBL4817129 0.90 PPARA (0.61) PPARAPPARGPPARDACEICMT
SCHEMBL3863447 0.90 PPARA (0.61) PPARAPPARGPPARDACEICMT
SCHEMBL13897522 0.88 PPARA (0.58) PPARAPPARGPPARDACEICMT
SCHEMBL3866049 0.88 PPARA (0.58) PPARAPPARGPPARDACEICMT
SCHEMBL3871366 0.87 PPARA (0.54) PPARAPPARGPPARDACEICMT
SCHEMBL13897348 0.86 PPARA (0.52) PPARAPPARGPPARDACEICMT
SCHEMBL3863876 0.86 PPARA (0.52) PPARAPPARGPPARDACEICMT
SCHEMBL3863904 0.85 PTPN1 (0.55) PPARAPPARGPPARDICMTPTPN1
SCHEMBL13897395 0.85 PPARA (0.55) PPARAPPARGPPARDACEICMT
SCHEMBL3866908 0.85 PPARA (0.55) PPARAPPARGPPARDACEICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622886-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-08 EP claimed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
WO-2004099171-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
EP-1622886-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-08 EP disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US disclosed
WO-2004099171-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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 (2 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-20060122223-A1 Substituted amino carboxylic acids PTPRS, PTPRO, PTPRJ PPARA 314/4885PPARG 328/4885PPARD 741/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO PPARA 406/4885PPARG 448/4885PPARD 1036/4885

“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.