SCHEMBL6803334

SCHEMBL6803334

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.52
CTSK P43235 10/20 0.52
CTSB P07858 4/20 0.51
CTSL P07711 2/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
AKT1 P31749 1/20 0.50
PSMB5 P28074 1/20 0.47
CA2 P00918 1/20 0.43
P4HB P07237 1/20 0.43
PTPN1 P18031 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
SCHEMBL6803998 0.95 CTSS (0.53) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6796918 0.91 CTSS (0.55) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6830748 0.89 CTSS (0.53) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6802662 0.89 CTSS (0.53) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6802123 0.86 PTPN1 (0.57) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6802112 0.86 PTPN1 (0.57) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6803290 0.86 PTPN1 (0.57) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6917959 0.85 CTSS (0.51) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6801918 0.85 PPARG (0.55) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6917961 0.85 CTSS (0.51) CTSSCTSKCTSBCTSLPPARG

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.