SCHEMBL6801918

SCHEMBL6801918

CCSCCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
CTSS P25774 9/20 0.51
CTSK P43235 8/20 0.51
CTSB P07858 3/20 0.50
CTSL P07711 2/20 0.50
AKT1 P31749 1/20 0.49
CA2 P00918 1/20 0.46
PTPN1 P18031 3/20 0.44
PTPRA P18433 1/20 0.44
BCL2 P10415 2/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 1/20 0.43
P4HB P07237 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
SCHEMBL6802123 0.87 PTPN1 (0.57) PPARGPPARACTSSCTSKCTSB
SCHEMBL6803290 0.87 PTPN1 (0.57) PPARGPPARACTSSCTSKCTSB
SCHEMBL6802112 0.87 PTPN1 (0.57) PPARGPPARACTSSCTSKCTSB
SCHEMBL6917959 0.86 CTSS (0.51) PPARGPPARACTSSCTSKCTSB
SCHEMBL6917961 0.86 CTSS (0.51) PPARGPPARACTSSCTSKCTSB
SCHEMBL6830748 0.86 CTSS (0.53) PPARGPPARACTSSCTSKCTSB
SCHEMBL6796918 0.86 CTSS (0.55) PPARGPPARACTSSCTSKCTSB
SCHEMBL6803998 0.86 CTSS (0.53) PPARGPPARACTSSCTSKCTSB
SCHEMBL6802662 0.86 CTSS (0.53) PPARGPPARACTSSCTSKCTSB
SCHEMBL6803334 0.85 CTSS (0.52) 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 2 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

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-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.