SCHEMBL5523008

SCHEMBL5523008

CC(C)C(=O)NCC(C(=O)NCC#N)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.44
CTSK P43235 10/20 0.44
CTSS P25774 9/20 0.41
CTSB P07858 6/20 0.40
EPHX1 P07099 1/20 0.38
CTSV O60911 2/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL5526866 0.87 CTSL (0.45) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5530243 0.85 CTSL (0.42) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5528348 0.84 CTSK (0.44) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5529196 0.84 CTSK (0.44) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5527445 0.83 CTSL (0.41) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5527113 0.82 ALDH1A1 (0.44) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5526085 0.82 CTSK (0.44) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5523062 0.81 CTSS (0.49) CTSLCTSKCTSSCTSB
SCHEMBL5528189 0.80 CTSL (0.41) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5533910 0.80 CTSS (0.59) CTSLCTSKCTSSCTSBEPHX1

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 7 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
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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 14/4885CTSK 32/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSK 32/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSK 32/4885CTSS 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.