SCHEMBL6805049

SCHEMBL6805049

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
CTSS P25774 3/20 0.50
CTSK P43235 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
RAB9A P51151 2/20 0.49
ACE P12821 1/20 0.48
TACR1 P25103 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CACNA1B Q00975 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCL2 P10415 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL6805054 1.00 PPARG (0.52) PPARGPPARACTSSCTSKCTSL
SCHEMBL6800882 0.91 PPARA (0.53) PPARGPPARACTSSCTSKCTSL
SCHEMBL6800878 0.91 PPARA (0.53) PPARGPPARACTSSCTSKCTSL
SCHEMBL8894210 0.89 CTSS (0.60) PPARGPPARACTSSCTSKCTSL
SCHEMBL6804068 0.86 PPARG (0.56) PPARGPPARACTSSCTSKCTSL
SCHEMBL6804057 0.86 PPARG (0.56) PPARGPPARACTSSCTSKCTSL
SCHEMBL6807034 0.85 CTSS (0.54) PPARGPPARACTSSCTSKCTSL
SCHEMBL6807031 0.85 CTSS (0.54) PPARGPPARACTSSCTSKCTSL
SCHEMBL6796934 0.85 PPARA (0.49) PPARGPPARACTSSCTSKCTSL
SCHEMBL6594286 0.83 PPARG (0.53) PPARGPPARACTSSCTSKCTSL

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.