SCHEMBL4824899

SCHEMBL4824899

O=C(O)[C@H](CSCc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1)NC(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.47
PTPRF P10586 1/20 0.47
PTPRA P18433 1/20 0.47
PTPN7 P35236 1/20 0.47
DUSP3 P51452 1/20 0.47
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ACE P12821 1/20 0.42

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
SCHEMBL4826478 0.84 PTPN1 (0.56) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4822244 0.84 PTPN1 (0.55) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4825441 0.84 PTPN1 (0.52) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4823343 0.83 PTPN1 (0.56) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4825822 0.82 PTPN1 (0.53) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4825778 0.82 PTPN1 (0.53) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL3013656 0.82 CTSS (0.57) CTSLCTSSCTSKPPARGPPARA
SCHEMBL3013652 0.82 CTSS (0.57) CTSLCTSSCTSKPPARGPPARA
SCHEMBL4823309 0.81 PPARA (0.65) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4825393 0.81 PPARA (0.68) PTPN1PTPRFPTPRAPTPN7DUSP3

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
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US 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 PTPN1 16/4885PTPRF 11/4885PTPRA 10/4885

“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.