SCHEMBL4449530

SCHEMBL4449530

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.53
CTSV O60911 4/20 0.53
CTSL P07711 3/20 0.53
CTSK P43235 4/20 0.48
ACE P12821 3/20 0.46
TSHR P16473 1/20 0.43
ACE2 Q9BYF1 2/20 0.41

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
SCHEMBL4452807 0.95 CTSS (0.57) CTSSCTSVCTSLCTSKACE
SCHEMBL4455907 0.90 CTSS (0.59) CTSSCTSVCTSLCTSKTSHR
SCHEMBL4454257 0.90 CTSK (0.54) CTSSCTSVCTSLCTSKACE
SCHEMBL13677366 0.90 CTSS (0.66) CTSSCTSVCTSLCTSKACE
SCHEMBL4452911 0.90 CTSS (0.66) CTSSCTSVCTSLCTSKACE
SCHEMBL13677368 0.90 CTSS (0.66) CTSSCTSVCTSLCTSKACE
SCHEMBL4454295 0.88 CTSS (0.64) CTSSCTSVCTSLCTSKACE
SCHEMBL6798364 0.88 CTSS (0.55) CTSSCTSVCTSLCTSKACE
SCHEMBL4456326 0.87 CTSS (0.56) CTSSCTSVCTSLCTSKTSHR
SCHEMBL4449224 0.87 CTSS (0.56) CTSSCTSVCTSLCTSKTSHR

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.