SCHEMBL3869501

SCHEMBL3869501

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.47
TDP1 Q9NUW8 3/20 0.44
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
ICMT O60725 1/20 0.42
C3AR1 Q16581 1/20 0.42
PPARD Q03181 2/20 0.41
GGPS1 O95749 1/20 0.41
SLC10A1 Q14973 2/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL4823549 1.00 ACE (0.47) ACETDP1PPARAPPARGICMT
SCHEMBL3863097 0.88 ACE (0.46) ACETDP1PPARAICMTC3AR1
SCHEMBL4824252 0.88 ACE (0.47) ACETDP1PPARAPPARGICMT
SCHEMBL3872531 0.88 ACE (0.47) ACETDP1PPARAPPARGICMT
SCHEMBL4826295 0.87 C3AR1 (0.49) ACETDP1PPARAPPARGICMT
SCHEMBL3869641 0.87 C3AR1 (0.49) ACETDP1PPARAPPARGICMT
SCHEMBL4817129 0.87 PPARA (0.61) ACEPPARAPPARGICMTC3AR1
SCHEMBL4825384 0.87 ACE (0.44) ACETDP1PPARAPPARGICMT
SCHEMBL3871885 0.87 ACE (0.44) ACETDP1PPARAPPARGICMT
SCHEMBL3863447 0.87 PPARA (0.61) ACEPPARAPPARGICMTC3AR1

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 8 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-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 ACE 978/4885TDP1 1238/4885PPARA 314/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO ACE 1006/4885TDP1 744/4885PPARA 406/4885

“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.