SCHEMBL3869461

SCHEMBL3869461

COC(=O)[C@H](CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)NC(=O)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
MMEL1 Q495T6 1/20 0.41
MAPT P10636 1/20 0.40
C3AR1 Q16581 1/20 0.39
ACE P12821 2/20 0.39
PPARA Q07869 1/20 0.39
ALOX5 P09917 1/20 0.38
GGPS1 O95749 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
SCHEMBL3869463 1.00 MME (0.41) MMEHDAC1HDAC6MMEL1MAPT
SCHEMBL3863097 0.91 ACE (0.46) MMEC3AR1ACEPPARAALOX5
SCHEMBL3862828 0.86 ICMT (0.44) MAPTC3AR1ACEPPARAGGPS1
SCHEMBL3862826 0.86 ICMT (0.44) MAPTC3AR1ACEPPARAGGPS1
SCHEMBL3866499 0.85 PPARA (0.50) C3AR1PPARAGGPS1
SCHEMBL3866879 0.85 PPARA (0.50) C3AR1PPARAGGPS1
SCHEMBL3888083 0.83 ALOX5 (0.41) C3AR1ACEPPARAALOX5GGPS1
SCHEMBL3888281 0.83 ALOX5 (0.41) C3AR1ACEPPARAALOX5GGPS1
SCHEMBL3869501 0.82 ACE (0.47) C3AR1ACEPPARAALOX5GGPS1
SCHEMBL4823549 0.82 ACE (0.47) C3AR1ACEPPARAALOX5GGPS1

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 7 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-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-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 MME 2372/4885HDAC1 2526/4885HDAC6 2204/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO MME 2525/4885HDAC1 2335/4885HDAC6 2491/4885

“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.