SCHEMBL6808320

SCHEMBL6808320

CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.57
PPARA Q07869 1/20 0.57
CTSS P25774 7/20 0.53
CTSK P43235 6/20 0.53
CTSB P07858 2/20 0.52
CTSL P07711 1/20 0.52
MMP1 P03956 2/20 0.52
MMP3 P08254 1/20 0.52
HDAC8 Q9BY41 1/20 0.48
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
BCL2 P10415 3/20 0.46
MCL1 Q07820 1/20 0.46
AKT1 P31749 1/20 0.46
FCER2 P06734 1/20 0.46

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
SCHEMBL6808317 1.00 PPARG (0.57) PPARGPPARACTSSCTSKCTSB
SCHEMBL3477645 0.94 CTSS (0.58) PPARGPPARACTSSCTSKCTSB
SCHEMBL7344956 0.89 PPARG (0.56) PPARGPPARACTSSCTSKCTSB
SCHEMBL7344948 0.89 PPARG (0.56) PPARGPPARACTSSCTSKCTSB
SCHEMBL30912525 0.88 PPARG (0.59) PPARGPPARACTSSCTSKCTSB
SCHEMBL3784750 0.88 PPARG (0.59) PPARGPPARACTSSCTSKCTSB
SCHEMBL441283 0.88 PPARA (0.68) PPARGPPARACTSSCTSKCTSB
SCHEMBL440723 0.88 PPARA (0.68) PPARGPPARACTSSCTSKCTSB
SCHEMBL199415 0.88 PPARA (0.68) PPARGPPARACTSSCTSKCTSB
SCHEMBL6674404 0.88 PPARG (0.59) PPARGPPARACTSSCTSKCTSB

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 US disclosed
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 PPARG 1733/4885PPARA 2457/4885CTSS 3898/4885
US-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE PPARG 1041/4885PPARA 1031/4885CTSS 1861/4885

“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.