SCHEMBL6186041

SCHEMBL6186041

CC(CC(NC(=O)OCc1ccccc1)C(=O)NCC#N)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 1.00
CTSL P07711 12/20 1.00
CTSK P43235 9/20 0.78
CTSB P07858 5/20 0.78

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
SCHEMBL6183068 0.88 CTSS (1.00) CTSSCTSLCTSKCTSB
SCHEMBL6181799 0.88 CTSS (1.00) CTSSCTSLCTSKCTSB
SCHEMBL18762607 0.85 CTSL (0.73) CTSSCTSLCTSKCTSB
SCHEMBL4676547 0.85 CTSL (0.73) CTSSCTSLCTSKCTSB
SCHEMBL2155030 0.85 CTSL (0.73) CTSSCTSLCTSKCTSB
SCHEMBL4676541 0.85 CTSL (0.73) CTSSCTSLCTSKCTSB
SCHEMBL2156842 0.85 CTSL (0.73) CTSSCTSLCTSKCTSB
SCHEMBL2155026 0.85 CTSL (0.73) CTSSCTSLCTSKCTSB
SCHEMBL2155871 0.84 CTSS (0.72) CTSSCTSLCTSKCTSB
SCHEMBL2157559 0.84 CTSS (0.72) CTSSCTSLCTSKCTSB

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 14/4885CTSK 32/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSK 32/4885

“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.