SCHEMBL14122916

SCHEMBL14122916

CC(C)C[C@H](NC(=O)C1OC1C(=O)NCCc1ccc(O)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 9/20 0.53
▸ MMP8 P22894 2/20 0.52
▸ ANPEP P15144 2/20 0.52
▸ CTSB P07858 2/20 0.49
▸ CAPN9 O14815 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CA5A P35218 1/20 0.48
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47

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 0.91 CAPN1 (0.61) CAPN1MMP8CTSBCAPN9MAPK1
SCHEMBL14123222 0.90 MMP8 (0.53) CAPN1MMP8ANPEPCTSBCAPN9
SCHEMBL29468187 0.89 ITGB1 (0.49) MMP8ANPEPCTSBCTSLMMP2
SCHEMBL15579525 0.88 HDAC3 (0.53) CAPN1MMP8ANPEPCTSBCAPN9
SCHEMBL14123115 0.88 CAPN1 (0.54) CAPN1MMP8ANPEPCTSBCAPN9
SCHEMBL14123116 0.88 CAPN1 (0.56) CAPN1MMP8ANPEPCTSBCAPN9
SCHEMBL14122945 0.88 CAPN1 (0.56) CAPN1MMP8ANPEPCTSBCAPN9
SCHEMBL14123225 0.87 CAPN1 (0.51) CAPN1MMP8ANPEPCTSBCAPN9
SCHEMBL14122814 0.87 CAPN1 (0.66) CAPN1MMP8CTSBCAPN9MAPK1
SCHEMBL14123169 0.86 CAPN1 (0.56) CAPN1MMP8CTSBCAPN9MAPK1

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 199/4885MMP8 163/4885ANPEP 56/4885

“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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