SCHEMBL6803382

SCHEMBL6803382

CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.63
CTSK P43235 11/20 0.63
CTSB P07858 4/20 0.63
CTSL P07711 2/20 0.63
AKT1 P31749 1/20 0.56
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54
ATM Q13315 1/20 0.51
REN P00797 1/20 0.51
ACE P12821 1/20 0.50
PSMB1 P20618 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB10 P40306 1/20 0.49
PSMB2 P49721 1/20 0.49

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
SCHEMBL6803127 1.00 CTSS (0.63) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6803119 1.00 CTSS (0.63) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18830579 0.90 CTSS (0.61) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7134683 0.89 CTSS (0.52) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3383006 0.89 CTSS (0.77) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3821796 0.88 PPARA (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL9328534 0.88 REN (0.56) CTSSRENPSMB1PSMB8PSMB9
SCHEMBL9328525 0.88 REN (0.56) CTSSRENPSMB1PSMB8PSMB9
SCHEMBL10432685 0.87 CTSS (0.57) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6800465 0.87 CTSS (0.58) CTSSCTSKCTSBCTSLAKT1

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 CTSS 1861/4885CTSK 2457/4885CTSB 2219/4885

“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.