SCHEMBL6182870

SCHEMBL6182870

CNC(=O)CC(C)CC(C)(C#N)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.53
CTSL P07711 11/20 0.47
CTSB P07858 7/20 0.47
CTSK P43235 6/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
TACR1 P25103 1/20 0.40

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
SCHEMBL16450015 0.82 CTSS (0.56) CTSSCTSLCTSBCTSKMEN1
SCHEMBL15686296 0.79 CTSS (0.54) CTSSCTSLCTSBCTSKMEN1
SCHEMBL15837157 0.78 MEN1 (0.55) CTSSCTSLCTSBCTSKMEN1
SCHEMBL15776823 0.77 CTSS (0.53) CTSSCTSLCTSBCTSKMEN1
SCHEMBL16449965 0.77 CTSS (0.52) CTSSCTSLCTSBCTSKMEN1
SCHEMBL1150695 0.76 CTSS (0.58) CTSSCTSLCTSBCTSKMEN1
SCHEMBL15837113 0.76 CTSS (0.51) CTSSCTSLCTSBCTSKMEN1
SCHEMBL19805060 0.76 CTSS (0.51) CTSSCTSLCTSBCTSKMEN1
SCHEMBL16449982 0.75 MEN1 (0.52) CTSSCTSLCTSBCTSKMEN1
SCHEMBL8914440 0.74 CTSS (0.49) CTSSCTSLCTSBCTSKMEN1

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
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US 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
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES 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 (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.