SCHEMBL4824539

SCHEMBL4824539

CC(C)(C)OC(=O)N[C@@H](CSc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)c(F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.47
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
PTPRF P10586 1/20 0.40
PTPRA P18433 1/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 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
SCHEMBL4826123 0.90 PTPN1 (0.56) PTPN1PPARGPPARAGSTP1GSTM2
SCHEMBL4825393 0.78 PPARA (0.68) PTPN1PPARGPPARAPTPRFPTPRA
SCHEMBL4818547 0.73 PTPN1 (0.51) PTPN1PPARGPPARAPTPRFPTPRA
SCHEMBL4825698 0.72 PTPN1 (0.52) PTPN1PPARGPPARAPTPRFPTPRA
SCHEMBL30775687 0.72 GSTP1 (0.49) PTPN1PPARGPPARAGSTP1GSTM2
SCHEMBL15956153 0.71 GSTP1 (0.56) PPARGPPARAGSTP1GSTM2
SCHEMBL7977007 0.71 GSTP1 (0.56) PPARGPPARAGSTP1GSTM2
SCHEMBL28991675 0.71 GSTP1 (0.52) PPARGPPARAGSTP1GSTM2
SCHEMBL28991676 0.71 GSTP1 (0.52) PPARGPPARAGSTP1GSTM2
SCHEMBL30317995 0.71 GSTP1 (0.52) PPARGPPARAGSTP1GSTM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN1 16/4885PPARG 448/4885PPARA 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.