SCHEMBL6182534

SCHEMBL6182534

CC(C)C[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)C(=O)NCC#N

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.56
CTSB P07858 3/20 0.56
CTSK P43235 3/20 0.56
CTSS P25774 3/20 0.56
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.46
CTSV O60911 1/20 0.43

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
SCHEMBL6183202 0.86 CTSL (0.64) CTSLCTSBCTSKCTSSKMT2A
SCHEMBL6183960 0.82 CTSL (0.60) CTSLCTSBCTSKCTSS
SCHEMBL6183765 0.82 CTSL (0.59) CTSLCTSBCTSKCTSS
SCHEMBL6185156 0.80 CTSL (0.57) CTSLCTSBCTSKCTSS
SCHEMBL5924953 0.80 CTSL (0.68) CTSLCTSBCTSKCTSS
SCHEMBL5924959 0.80 CTSL (0.68) CTSLCTSBCTSKCTSS
SCHEMBL6183089 0.79 CTSK (0.58) CTSLCTSBCTSKCTSS
SCHEMBL6183692 0.79 CTSL (0.67) CTSLCTSBCTSKCTSS
SCHEMBL6182494 0.77 CTSL (0.79) CTSLCTSBCTSKCTSSCTSV
SCHEMBL6182102 0.77 CTSL (0.64) CTSLCTSBCTSKCTSS

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 CTSL 14/4885CTSB 11/4885CTSK 32/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSB 11/4885CTSK 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.