SCHEMBL3862828

SCHEMBL3862828

COC(=O)C(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)NC(=O)c1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.44
C3AR1 Q16581 1/20 0.42
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
ELANE P08246 1/20 0.40
ACE P12821 1/20 0.38
PPARA Q07869 1/20 0.38
CDK2 P24941 2/20 0.38
PTPN1 P18031 2/20 0.38
PTPRC P08575 1/20 0.38
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPA Q15257 1/20 0.38
GGPS1 O95749 1/20 0.37
KDR P35968 1/20 0.37
TACR3 P29371 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 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
SCHEMBL3862826 1.00 ICMT (0.44) ICMTC3AR1FNTAFNTBELANE
SCHEMBL3862999 0.91 ICMT (0.50) ICMTC3AR1FNTAFNTBACE
SCHEMBL3863000 0.91 ICMT (0.50) ICMTC3AR1FNTAFNTBACE
SCHEMBL3869461 0.86 MME (0.41) C3AR1ACEPPARAGGPS1MAPT
SCHEMBL3869463 0.86 MME (0.41) C3AR1ACEPPARAGGPS1MAPT
SCHEMBL3866879 0.85 PPARA (0.50) C3AR1PPARAPTPN1GGPS1
SCHEMBL3866499 0.85 PPARA (0.50) C3AR1PPARAPTPN1GGPS1
SCHEMBL13897452 0.84 CDK2 (0.38) ICMTC3AR1FNTAFNTBACE
SCHEMBL3888083 0.82 ALOX5 (0.41) C3AR1ACEPPARAGGPS1KDM4E
SCHEMBL3888281 0.82 ALOX5 (0.41) C3AR1ACEPPARAGGPS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 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 (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 4335/4885C3AR1 3702/4885FNTA 2426/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO ICMT 4431/4885C3AR1 3309/4885FNTA 2673/4885

“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.