SCHEMBL5526085

SCHEMBL5526085

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.44
CTSS P25774 11/20 0.41
CTSL P07711 6/20 0.40
CTSB P07858 5/20 0.38
EPHX1 P07099 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5534177 0.84 CTSL (0.42) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL5523008 0.82 CTSL (0.44) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL5533910 0.81 CTSS (0.59) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL5530243 0.81 CTSL (0.42) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL5528484 0.81 CTSS (0.55) CTSKCTSSCTSLCTSBMEN1
SCHEMBL6062786 0.81 CTSK (0.41) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL5526866 0.80 CTSL (0.45) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL6063061 0.80 CTSK (0.43) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL5527445 0.79 CTSL (0.41) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL6062407 0.79 CTSS (0.42) CTSKCTSSCTSLCTSB

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 CTSK 32/4885CTSS 10/4885CTSL 14/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSS 10/4885CTSL 14/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSK 32/4885CTSS 10/4885CTSL 14/4885

“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.