SCHEMBL6185598

SCHEMBL6185598

CC(O)CN(C(=O)OCc1ccccc1)C(=O)N(C)C#N

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.50
CTSL P07711 11/20 0.50
CTSB P07858 10/20 0.50
CTSK P43235 9/20 0.50
ABCB1 P08183 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7509783 1.00 CTSS (0.50) CTSSCTSLCTSBCTSKABCB1
SCHEMBL6182057 0.88 CTSL (0.47) CTSSCTSLCTSBCTSKABCB1
SCHEMBL854095 0.81 CTSL (0.53) CTSSCTSLCTSBCTSKABCB1
SCHEMBL6185601 0.81 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL7557226 0.79 CTSS (0.46) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL6183071 0.79 ALDH1A1 (0.43) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL5528477 0.75 CTSL (0.49) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL6184235 0.75 CTSL (0.45) CTSSCTSLCTSBCTSK
SCHEMBL4763089 0.74 CTSK (0.44) CTSSCTSLCTSBCTSKABCB1
SCHEMBL6183149 0.74 CTSS (0.44) CTSSCTSLCTSBCTSKALDH1A1

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
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSB 11/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSB 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.