SCHEMBL5528527

SCHEMBL5528527

CC(=O)c1cccc(C(=O)NCC(C(=O)NCC#N)C2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.48
CTSS P25774 5/20 0.48
CTSB P07858 3/20 0.48
CTSK P43235 3/20 0.48
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
CTSV O60911 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5534377 0.93 CTSL (0.49) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL5520691 0.91 CTSL (0.50) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL6590412 0.90 SMYD3 (0.46) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL5526266 0.89 CTSL (0.53) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL7562354 0.89 CTSL (0.48) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL5525342 0.89 CTSL (0.60) CTSLCTSSCTSBCTSKGAA
SCHEMBL6874233 0.89 CTSL (0.46) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL6592939 0.88 CTSL (0.47) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL5522783 0.88 CTSL (0.53) CTSLCTSSCTSBCTSKCTSV
SCHEMBL5522994 0.88 CTSL (0.47) CTSLCTSSCTSBCTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSB 11/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSB 11/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSB 11/4885

“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.