SCHEMBL14122945

SCHEMBL14122945

CC(C)CNC(=O)[C@H](CC(C)C)NC(=O)C1O[C@@H]1C(=O)NCCc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 13/20 0.56
▸ CTSB P07858 3/20 0.51
▸ CTSL P07711 3/20 0.51
▸ CAPN9 O14815 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MMP8 P22894 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CTSG P08311 1/20 0.46
▸ ANPEP P15144 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
SCHEMBL14123093 0.95 CAPN1 (0.61) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14123116 0.92 CAPN1 (0.56) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14123169 0.90 CAPN1 (0.56) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14123115 0.90 CAPN1 (0.54) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14123226 0.89 CAPN1 (0.54) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14122814 0.88 CAPN1 (0.66) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL15579527 0.88 CAPN1 (0.54) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14122916 0.88 CAPN1 (0.53) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL15579549 0.85 CAPN9 (0.47) CAPN1CTSBCTSLCAPN9MMP8
SCHEMBL14123225 0.85 CAPN1 (0.51) CAPN1CTSBCTSLCAPN9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 — — US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 — — US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 — — US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 — — 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-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES SERPINB1, EPHX1, EPX CAPN1 199/4885CTSB 74/4885CTSL 95/4885

“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.

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