SCHEMBL4816476

SCHEMBL4816476

O=C(O)[C@H](CSCc1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1)NC(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.43
ACE P12821 2/20 0.43
CTSL P07711 2/20 0.43
CTSK P43235 1/20 0.43
PPARA Q07869 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40
PIN1 Q13526 3/20 0.39
PPARG P37231 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL3013656 0.82 CTSS (0.57) CTSSACECTSLCTSKPPARA
SCHEMBL3013652 0.82 CTSS (0.57) CTSSACECTSLCTSKPPARA
SCHEMBL4824419 0.82 PPARA (0.52) ACEPPARAPPARG
SCHEMBL4824686 0.82 ACE (0.48) ACEPPARAPPARG
SCHEMBL4822391 0.81 ACE (0.49) ACEPPARAPPARG
SCHEMBL4825787 0.80 PPARA (0.63) CTSSACECTSKPPARAPPARG
SCHEMBL4823530 0.80 PPARA (0.67) ACEPPARAPPARG
SCHEMBL4818651 0.78 PPARA (0.52) ACEPPARAPPARG
SCHEMBL4822435 0.74 SMN1; SMN2 (0.42) ACEPPARAMAPTPPARGGAA
SCHEMBL4824899 0.74 PTPN1 (0.47) CTSSACECTSLCTSKPPARA

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
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
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 (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 CTSS 3788/4885ACE 1006/4885CTSL 3716/4885

“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.