SCHEMBL6183202

SCHEMBL6183202

CC(C)C[C@H](NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)NCC#N

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.64
CTSB P07858 4/20 0.64
CTSS P25774 4/20 0.64
CTSK P43235 3/20 0.64
TDP1 Q9NUW8 1/20 0.53
GFER P55789 1/20 0.50
KMT2A Q03164 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
SCHEMBL6182534 0.86 CTSL (0.56) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6183525 0.86 CTSL (0.74) CTSLCTSBCTSSCTSK
SCHEMBL7551280 0.83 TDP1 (0.52) CTSLCTSBCTSSCTSKTDP1
SCHEMBL6182494 0.82 CTSL (0.79) CTSLCTSBCTSSCTSK
SCHEMBL6182582 0.82 CTSK (0.72) CTSLCTSBCTSSCTSK
SCHEMBL6183052 0.80 CTSL (0.67) CTSLCTSBCTSSCTSK
SCHEMBL6181339 0.79 CTSL (0.81) CTSLCTSBCTSSCTSK
SCHEMBL6182112 0.78 CTSL (0.75) CTSLCTSBCTSSCTSK
SCHEMBL6182795 0.78 CTSL (0.79) CTSLCTSBCTSSCTSK
SCHEMBL6183814 0.78 CTSL (0.79) CTSLCTSBCTSSCTSK

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 CTSL 14/4885CTSB 11/4885CTSS 10/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSB 11/4885CTSS 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.