SCHEMBL4459060

SCHEMBL4459060

NC(=O)c1ccccc1CS(=O)(=O)C[CH]C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.38
CTSV O60911 4/20 0.38
CTSK P43235 4/20 0.38
CTSL P07711 3/20 0.38
PARP1 P09874 3/20 0.32
PARP2 Q9UGN5 1/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 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
SCHEMBL4450176 0.94 CTSS (0.35) CTSSCTSVCTSKCTSLPARP1
SCHEMBL5139348 0.73 CTSS (0.38) CTSSCTSVCTSKCTSL
SCHEMBL5254910 0.70 CTSS (0.38) CTSSCTSVCTSKCTSL
SCHEMBL6805725 0.70 PARP1 (0.30) PARP1
SCHEMBL6801912 0.70 CTSS (0.36) CTSSCTSVCTSKCTSL
SCHEMBL7017633 0.69 CTSS (0.40) CTSSCTSVCTSKCTSLLMNA
SCHEMBL7016866 0.69 CTSS (0.42) CTSSCTSVCTSKCTSL
SCHEMBL6697355 0.68
SCHEMBL7149544 0.68 CTSK (0.42) CTSSCTSVCTSKCTSL
SCHEMBL6801202 0.67 CTSK (0.37) CTSSCTSVCTSKCTSL

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 27/4885CTSK 62/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSS 21/4885CTSV 18/4885CTSK 45/4885

“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.