SCHEMBL6796934

SCHEMBL6796934

CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 2/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
ACE P12821 1/20 0.46
REN P00797 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA2 P00918 1/20 0.42
AKT1 P31749 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCKBR P32239 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
SCHEMBL6807847 0.93 CTSS (0.48) PPARAPPARGITGA4ITGB7CTSS
SCHEMBL6919468 0.90 PPARG (0.50) PPARAPPARGITGA4ITGB7CTSS
SCHEMBL6802603 0.89 PPARG (0.47) PPARAPPARGRENNPC1RAB9A
SCHEMBL6799986 0.88 PPARG (0.49) PPARAPPARGITGA4ITGB7CTSS
SCHEMBL6803095 0.86 PPARG (0.47) PPARAPPARGITGA4ITGB7CTSS
SCHEMBL6796549 0.85 PPARG (0.45) PPARAPPARGITGA4ITGB7CTSS
SCHEMBL6800420 0.85 PPARG (0.44) PPARAPPARGMEN1KMT2ACA2
SCHEMBL6805049 0.85 PPARG (0.52) PPARAPPARGITGA4ITGB7CTSS
SCHEMBL6805054 0.85 PPARG (0.52) PPARAPPARGITGA4ITGB7CTSS
SCHEMBL6800882 0.84 PPARA (0.53) PPARAPPARGITGA4ITGB7CTSS

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 PPARA 1031/4885PPARG 1041/4885ITGA4 4015/4885

“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.