SCHEMBL4450177

SCHEMBL4450177

NC(CS(=O)(=O)Cc1ccccc1)C(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.46
CTSV O60911 3/20 0.46
CTSL P07711 3/20 0.46
CTSK P43235 3/20 0.46
DPP4 P27487 7/20 0.43
DPP8 Q6V1X1 5/20 0.43
DPP7 Q9UHL4 4/20 0.43
DPP9 Q86TI2 3/20 0.43
FAP Q12884 2/20 0.43
ACE P12821 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TACR1 P25103 1/20 0.35

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
SCHEMBL4459062 0.94 CTSS (0.49) CTSSCTSVCTSLCTSKDPP4
SCHEMBL6801647 0.86 DPP4 (0.58) CTSSCTSVCTSLCTSKDPP4
SCHEMBL6797542 0.83 CTSS (0.49) CTSSCTSVCTSLCTSK
SCHEMBL4457995 0.83 CTSS (0.63) CTSSCTSVCTSLCTSKACE
SCHEMBL6802733 0.82 CTSS (0.48) CTSSCTSVCTSLCTSKNPC1
SCHEMBL5098331 0.81 CTSS (0.46) CTSSCTSVCTSLCTSKDPP4
SCHEMBL4564702 0.79 DPP4 (0.57) CTSSCTSVCTSLCTSKDPP4
SCHEMBL4450417 0.77 CTSS (0.67) CTSSCTSVCTSLCTSK
SCHEMBL6808313 0.77 CTSS (0.53) CTSSCTSVCTSLCTSK
SCHEMBL5256719 0.76 DPP4 (0.59) DPP4DPP8DPP7DPP9FAP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
EP-1362052-B1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2007-03-07 EP disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US disclosed
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSS 39/4885CTSV 27/4885CTSL 23/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSS 21/4885CTSV 18/4885CTSL 16/4885

“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.