SCHEMBL3869417

SCHEMBL3869417

COC(=O)[C@H](CSCc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.74
PPARA Q07869 9/20 0.74
PPARD Q03181 2/20 0.54
GSTP1 P09211 1/20 0.53
GSTM2 P28161 1/20 0.53
ACE P12821 1/20 0.53
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL3319460 0.86 PPARG (0.58) PPARGPPARAGSTP1GSTM2ACE
SCHEMBL2728823 0.86 PPARG (0.58) PPARGPPARAGSTP1GSTM2ACE
SCHEMBL19212613 0.86 PPARG (0.58) PPARGPPARAGSTP1GSTM2ACE
SCHEMBL3031211 0.84 PPARG (0.74) PPARGPPARAPPARDACEHTT
SCHEMBL1277840 0.84 PPARG (0.74) PPARGPPARAPPARDACEHTT
SCHEMBL3862832 0.84 PPARG (0.61) PPARGPPARAPPARDGSTP1GSTM2
SCHEMBL1277844 0.84 PPARG (0.74) PPARGPPARAPPARDACEHTT
SCHEMBL11959611 0.83 PPARG (0.53) PPARGPPARAGSTP1GSTM2HTT
SCHEMBL14552051 0.82 PPARG (0.54) PPARGPPARAGSTP1GSTM2
SCHEMBL16834750 0.81 PPARG (0.58) PPARGPPARAPPARDGSTP1GSTM2

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-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 PPARG 328/4885PPARA 314/4885PPARD 741/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO PPARG 448/4885PPARA 406/4885PPARD 1036/4885

“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.