SCHEMBL4819769

SCHEMBL4819769

O=C(O)C(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.43
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
C3AR1 Q16581 1/20 0.39
GGPS1 O95749 1/20 0.38
MTTP P55157 4/20 0.38
CDC14B O60729 1/20 0.37
CDC14A Q9UNH5 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ICMT O60725 1/20 0.36
ALOX5 P09917 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
SCHEMBL4824661 0.84 TDP1 (0.46) ACEPPARAPPARGC3AR1GGPS1
SCHEMBL4824666 0.84 TDP1 (0.46) ACEPPARAPPARGC3AR1GGPS1
SCHEMBL3869659 0.83 ICMT (0.42) ACEPPARAPPARGC3AR1GGPS1
SCHEMBL3871838 0.83 ICMT (0.42) ACEPPARAPPARGC3AR1GGPS1
SCHEMBL4821230 0.83 ICMT (0.42) ACEPPARAPPARGC3AR1GGPS1
SCHEMBL3871897 0.83 ICMT (0.42) ACEPPARAPPARGC3AR1GGPS1
SCHEMBL4818632 0.82 C3AR1 (0.48) ACEPPARAPPARGC3AR1GGPS1
SCHEMBL3863460 0.82 C3AR1 (0.48) ACEPPARAPPARGC3AR1GGPS1
SCHEMBL4826295 0.81 C3AR1 (0.49) ACEPPARAPPARGC3AR1TDP1
SCHEMBL3869641 0.81 C3AR1 (0.49) ACEPPARAPPARGC3AR1TDP1

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-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
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 claimed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
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 claimed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US 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 (1 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-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO ACE 1006/4885PPARA 406/4885PPARG 448/4885

“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.