SCHEMBL6203504

SCHEMBL6203504

CC(CCNC(=O)c1cccc(CN)c1)CC(=O)NCC#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.42
CFD P00746 1/20 0.42
LOX P28300 2/20 0.41
CTSL P07711 8/20 0.41
CTSS P25774 5/20 0.41
CTSB P07858 4/20 0.41
CTSK P43235 4/20 0.41
CTSV O60911 3/20 0.41
HTR2C P28335 1/20 0.40
ROCK2 O75116 1/20 0.40
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7450457 0.89 MCHR1 (0.43) LOXL2CTSLCTSSCTSBCTSK
SCHEMBL7551492 0.87 SMN1; SMN2 (0.41) CTSLCTSSCTSBCTSKALOX5
SCHEMBL7449982 0.83 POLB (0.47) CTSLALOX5EPHX2NPC1RAB9A
SCHEMBL6182110 0.82 CTSS (0.43) CTSLCTSSCTSBCTSKROCK2
SCHEMBL6876215 0.82 PAX8 (0.47) CTSLGPR139GAA
SCHEMBL6182799 0.79 LMNA (0.45) CTSLCTSSCTSBCTSKEPHX2
SCHEMBL7452326 0.79 SMN1; SMN2 (0.42) CTSLCTSSCTSBCTSKEPHX2
SCHEMBL7645777 0.79 SMN1; SMN2 (0.50) CTSLEPHX2NPC1RAB9AGAA
SCHEMBL5521758 0.77 PRMT5 (0.48) CTSLCTSSCTSBCTSKGAA
SCHEMBL6182813 0.77 MAP3K5 (0.43) CTSLCTSSCTSBCTSKGPR139

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 LOXL2 1157/4885CFD 787/4885LOX 249/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 LOXL2 1157/4885CFD 787/4885LOX 249/4885

“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.