SCHEMBL6180962

SCHEMBL6180962

CC(C)CC(NC(=O)c1ccc(NC(=O)NCc2cccnc2)cc1)C(=O)NCC#N

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.59
CTSB P07858 3/20 0.59
CTSS P25774 2/20 0.59
CTSK P43235 1/20 0.59
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CTSV O60911 1/20 0.56
NAMPT P43490 4/20 0.56
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.53
HDAC1 Q13547 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 2/20 0.51

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
SCHEMBL6183719 0.91 TSHR (0.60) CTSLCTSBCTSSCTSKLMNA
SCHEMBL6184355 0.89 NAMPT (0.66) CTSLCTSBCTSSCTSKNAMPT
SCHEMBL6183319 0.89 CTSL (0.63) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6183304 0.88 CTSL (0.60) CTSLCTSBCTSSCTSKHTT
SCHEMBL6180969 0.86 KMT2A (0.53) HTTLMNANPSR1NAMPTKMT2A
SCHEMBL6183156 0.84 CHRNA7 (0.57) CTSLCTSBCTSSCTSKHTT
SCHEMBL6182112 0.83 CTSL (0.75) CTSLCTSBCTSSCTSK
SCHEMBL4714328 0.83 KMT2A (0.62) CTSLCTSSCTSKNAMPTKMT2A
SCHEMBL6182524 0.83 CTSL (0.62) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6182351 0.82 CTSB (0.79) CTSLCTSBCTSSCTSKCTSV

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 11/4885CTSS 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.