SCHEMBL6182065

SCHEMBL6182065

CC(CCC(=O)NCC#N)CNC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.58
CTSL P07711 12/20 0.58
CTSB P07858 8/20 0.58
CTSK P43235 4/20 0.58
HTT P42858 1/20 0.45
CAPN1 P07384 1/20 0.44
CAPN2 P17655 1/20 0.44

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
SCHEMBL6940690 0.84 HTT (0.59) CTSSCTSLCTSBCTSKHTT
SCHEMBL6404796 0.84 HTT (0.59) CTSSCTSLCTSBCTSKHTT
SCHEMBL7530882 0.83 CTSS (0.59) CTSSCTSLCTSBCTSKHTT
SCHEMBL7529135 0.83 CTSS (0.59) CTSSCTSLCTSBCTSKHTT
SCHEMBL6183874 0.82 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL6946489 0.82 HTT (0.50) CTSSCTSKHTT
SCHEMBL6943807 0.82 HTT (0.50) CTSSCTSKHTT
SCHEMBL7456077 0.81 CTSS (0.57) CTSSCTSLCTSBCTSKHTT
SCHEMBL6181806 0.81 CTSS (0.57) CTSSCTSLCTSBCTSKHTT
SCHEMBL6183834 0.81 CTSL (0.51) CTSSCTSLCTSBCTSK

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
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

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.