SCHEMBL14123226

SCHEMBL14123226

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 11/20 0.54
▸ CTSB P07858 4/20 0.48
▸ CTSL P07711 4/20 0.48
▸ CAPN9 O14815 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CTSK P43235 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CTSH P09668 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSC P53634 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ MMP8 P22894 1/20 0.44
▸ CTSG P08311 1/20 0.44
▸ ANPEP P15144 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
SCHEMBL14123093 0.92 CAPN1 (0.61) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14123115 0.91 CAPN1 (0.54) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14122945 0.89 CAPN1 (0.56) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14123116 0.89 CAPN1 (0.56) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14123169 0.87 CAPN1 (0.56) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL14122906 0.86 NPY4R (0.53) CAPN1CTSBCTSL
SCHEMBL15579592 0.86 NPY4R (0.53) CAPN1CTSBCTSL
SCHEMBL14123240 0.86 NPY4R (0.53) CAPN1CTSBCTSL
SCHEMBL14122814 0.85 CAPN1 (0.66) CAPN1CTSBCTSLCAPN9MAPK1
SCHEMBL15579527 0.85 CAPN1 (0.54) 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.

Send feedback