SCHEMBL3862999

SCHEMBL3862999

O=C(O)c1ccccc1C(=O)N[C@@H](CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.50
C3AR1 Q16581 1/20 0.46
ACE P12821 2/20 0.45
PPARA Q07869 3/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
GGPS1 O95749 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 2/20 0.39
FTO Q9C0B1 1/20 0.38
PPARD Q03181 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
SCHEMBL3863000 1.00 ICMT (0.50) ICMTC3AR1ACEPPARAFNTA
SCHEMBL3862828 0.91 ICMT (0.44) ICMTC3AR1ACEPPARAFNTA
SCHEMBL3862826 0.91 ICMT (0.44) ICMTC3AR1ACEPPARAFNTA
SCHEMBL3863460 0.90 C3AR1 (0.48) ICMTC3AR1ACEPPARAFNTA
SCHEMBL4818632 0.90 C3AR1 (0.48) ICMTC3AR1ACEPPARAFNTA
SCHEMBL4822498 0.89 C3AR1 (0.46) ICMTC3AR1ACEPPARAFNTA
SCHEMBL3869641 0.87 C3AR1 (0.49) ICMTC3AR1ACEPPARATDP1
SCHEMBL4826295 0.87 C3AR1 (0.49) ICMTC3AR1ACEPPARATDP1
SCHEMBL4816664 0.87 ICMT (0.45) ICMTC3AR1ACEPPARAFNTA
SCHEMBL3866478 0.87 ICMT (0.45) ICMTC3AR1ACEPPARAFNTA

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 3702/4885ACE 978/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO ICMT 4431/4885C3AR1 3309/4885ACE 1006/4885

“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.