SCHEMBL4452764

SCHEMBL4452764

O=C(NC(Cc1ccccc1)C(=O)N1CCC2OCC(=O)C21)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.62
CTSV O60911 4/20 0.62
CTSL P07711 3/20 0.62
CTSK P43235 4/20 0.56
GPR132 Q9UNW8 2/20 0.46
KMT2A Q03164 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
NPC1 O15118 1/20 0.42
ACE P12821 3/20 0.42
ACE2 Q9BYF1 2/20 0.42

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
SCHEMBL6803800 0.95 CTSS (0.58) CTSSCTSVCTSLCTSKGPR132
SCHEMBL6804760 0.94 CTSS (0.57) CTSSCTSVCTSLCTSKGPR132
SCHEMBL5104860 0.94 CTSS (0.57) CTSSCTSVCTSLCTSKGPR132
SCHEMBL5139209 0.94 CTSS (0.57) CTSSCTSVCTSLCTSKGPR132
SCHEMBL6807709 0.94 CTSS (0.57) CTSSCTSVCTSLCTSKGPR132
SCHEMBL6803155 0.94 CTSS (0.57) CTSSCTSVCTSLCTSKGPR132
SCHEMBL6804508 0.94 CTSS (0.57) CTSSCTSVCTSLCTSKGPR132
SCHEMBL5105196 0.92 CTSS (0.55) CTSSCTSVCTSLCTSKGPR132
SCHEMBL6805474 0.92 CTSS (0.65) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL4446406 0.91 CTSS (0.56) CTSSCTSVCTSLCTSKGPR132

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.