SCHEMBL6180663

SCHEMBL6180663

CC(C)CC(NC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)NCC#N

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.56
CTSK P43235 4/20 0.56
CTSS P25774 4/20 0.56
CTSB P07858 3/20 0.56
MEN1 O00255 1/20 0.54
STAT3 P40763 1/20 0.54
KMT2A Q03164 1/20 0.54
ROCK2 O75116 8/20 0.53
ROCK1 Q13464 8/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 1/20 0.53
CAPN1 P07384 2/20 0.50
MRE11 P49959 1/20 0.50

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
SCHEMBL6180116 0.88 CTSK (0.56) CTSLCTSKCTSSCTSBMEN1
SCHEMBL6184351 0.82 CTSL (0.54) CTSLCTSKCTSSCTSBMEN1
SCHEMBL6185021 0.81 MEN1 (0.52) CTSLCTSKCTSSCTSBMEN1
SCHEMBL12521541 0.80 CTSL (0.68) CTSLCTSKCTSSCTSB
SCHEMBL6183599 0.80 CTSL (0.55) CTSLCTSKCTSSCTSBMAPT
SCHEMBL6184390 0.80 CTSL (0.59) CTSLCTSKCTSSCTSB
SCHEMBL6180437 0.80 ROCK2 (0.50) CTSLCTSKCTSSCTSBMEN1
SCHEMBL21241768 0.78 SCD (0.60) CTSLCTSKCTSSCTSBMEN1
SCHEMBL21241787 0.78 SCD (0.60) CTSLCTSKCTSSCTSBMEN1
SCHEMBL4714808 0.78 CTSK (0.66) CTSLCTSKCTSSCTSB

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSK 32/4885CTSS 10/4885

“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.