SCHEMBL3871897

SCHEMBL3871897

O=C(NC(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.42
ACE P12821 2/20 0.41
C3AR1 Q16581 1/20 0.41
KIFC1 Q9BW19 1/20 0.40
PPARA Q07869 3/20 0.40
PPARG P37231 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
CDC14B O60729 2/20 0.38
CDC14A Q9UNH5 2/20 0.38
GGPS1 O95749 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
FTO Q9C0B1 1/20 0.35
CDK2 P24941 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
SCHEMBL3869659 1.00 ICMT (0.42) ICMTACEC3AR1KIFC1PPARA
SCHEMBL4821230 0.94 ICMT (0.42) ICMTACEC3AR1KIFC1PPARA
SCHEMBL3871838 0.94 ICMT (0.42) ICMTACEC3AR1KIFC1PPARA
SCHEMBL13897452 0.92 CDK2 (0.38) ICMTACEC3AR1KIFC1PPARA
SCHEMBL3866478 0.86 ICMT (0.45) ICMTACEC3AR1PPARATDP1
SCHEMBL4816664 0.86 ICMT (0.45) ICMTACEC3AR1PPARATDP1
SCHEMBL14224142 0.86 ACE (0.37) ACEKIFC1PPARAPPARGTDP1
SCHEMBL4824661 0.85 TDP1 (0.46) ACEC3AR1KIFC1PPARAPPARG
SCHEMBL4824666 0.85 TDP1 (0.46) ACEC3AR1KIFC1PPARAPPARG
SCHEMBL4819544 0.85 C3AR1 (0.44) ICMTACEC3AR1PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
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
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US 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 ICMT 4335/4885ACE 978/4885C3AR1 3702/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO ICMT 4431/4885ACE 1006/4885C3AR1 3309/4885

“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.