SCHEMBL4450176

SCHEMBL4450176

NC(=O)c1ccccc1CS(=O)(=O)C[CH]C(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.35
CTSV O60911 4/20 0.35
CTSL P07711 3/20 0.35
CTSK P43235 3/20 0.35
BRD4 O60885 1/20 0.32
BTK Q06187 1/20 0.32
PARP1 P09874 3/20 0.32
PRSS1 P07477 2/20 0.31
PARP2 Q9UGN5 1/20 0.31
F10 P00742 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL4459060 0.94 CTSS (0.38) CTSSCTSVCTSLCTSKBRD4
SCHEMBL7149408 0.69 CTSK (0.37) CTSSCTSVCTSLCTSK
SCHEMBL4452931 0.69 CTSK (0.37) CTSSCTSVCTSLCTSK
SCHEMBL7013235 0.69 CTSS (0.37) CTSSCTSVCTSLCTSK
SCHEMBL4452652 0.69 CTSK (0.37) CTSSCTSVCTSLCTSK
SCHEMBL6805725 0.69 PARP1 (0.30) PARP1
SCHEMBL7021052 0.68 CTSS (0.44) CTSSCTSVCTSLCTSK
SCHEMBL4450177 0.68 CTSS (0.46) CTSSCTSVCTSLCTSK
SCHEMBL5139348 0.68 CTSS (0.38) CTSSCTSVCTSLCTSK
SCHEMBL6801164 0.67 CTSK (0.37) CTSSCTSVCTSLCTSKPARP2

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.