SCHEMBL5530353

SCHEMBL5530353

CC(C)(C)SSC(CNC(=O)c1ccccc1)C(=O)NCC#N

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.49
CTSB P07858 8/20 0.49
CTSS P25774 7/20 0.49
CTSK P43235 5/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CTSV O60911 1/20 0.42

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
SCHEMBL5517733 0.87 CTSL (0.51) CTSLCTSBCTSSCTSKNPC1
SCHEMBL6447899 0.83 CTSL (0.54) CTSLCTSBCTSSCTSKNPC1
SCHEMBL5524114 0.79 CTSL (0.56) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL5527001 0.78 ESRRG (0.51) CTSLCTSBCTSSCTSKNPC1
SCHEMBL5521783 0.77 CTSL (0.48) CTSLCTSBCTSSCTSKNPC1
SCHEMBL2863808 0.76 GAA (0.61) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL5530345 0.76 CTSL (0.62) CTSLCTSBCTSSCTSKCTSV
SCHEMBL5530348 0.76 CTSL (0.62) CTSLCTSBCTSSCTSKCTSV
SCHEMBL5517758 0.75 CTSK (0.61) CTSLCTSBCTSSCTSKNPC1
SCHEMBL5526526 0.75 ALDH1A1 (0.53) CTSLCTSBCTSSCTSK

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-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 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 (2 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 14/4885CTSB 11/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSB 11/4885CTSS 10/4885

“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.