SCHEMBL6803380

SCHEMBL6803380

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.57
CTSK P43235 5/20 0.57
REN P00797 3/20 0.53
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
CTSL P07711 3/20 0.46
CTSB P07858 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL6803377 1.00 CTSS (0.57) CTSSCTSKRENPPARGPPARA
SCHEMBL6808534 0.92 REN (0.63) CTSSCTSKRENPPARGPPARA
SCHEMBL6808536 0.92 REN (0.63) CTSSCTSKRENPPARGPPARA
SCHEMBL4714186 0.92 PPARG (0.58) CTSSCTSKRENPPARGPPARA
SCHEMBL500110 0.92 PPARG (0.58) CTSSCTSKRENPPARGPPARA
SCHEMBL500111 0.92 PPARG (0.58) CTSSCTSKRENPPARGPPARA
SCHEMBL3477645 0.91 CTSS (0.58) CTSSCTSKPPARGPPARACTSL
SCHEMBL2801456 0.86 CTSS (0.66) CTSSCTSKRENPPARGPPARA
SCHEMBL2803528 0.86 CTSS (0.66) CTSSCTSKRENPPARGPPARA
SCHEMBL14552051 0.85 PPARG (0.54) CTSSCTSKPPARGPPARACTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2457/4885REN 343/4885

“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.