SCHEMBL4458880

SCHEMBL4458880

O=C(NC(Cc1ccncc1)C(=O)N1CCC2OCC(=O)C21)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.56
CTSV O60911 6/20 0.56
CTSL P07711 5/20 0.56
CTSK P43235 7/20 0.52
GPR132 Q9UNW8 2/20 0.40
ROCK2 O75116 2/20 0.39
CTSB P07858 2/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4455907 0.92 CTSS (0.59) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL4454295 0.92 CTSS (0.64) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL4448318 0.91 CTSS (0.54) CTSSCTSVCTSLCTSKGPR132
SCHEMBL4452807 0.91 CTSS (0.57) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL4457957 0.90 CTSS (0.56) CTSSCTSVCTSLCTSKGPR132
SCHEMBL4456326 0.90 CTSS (0.56) CTSSCTSVCTSLCTSKKMT2A
SCHEMBL4449224 0.90 CTSS (0.56) CTSSCTSVCTSLCTSKCTSB
SCHEMBL4452892 0.90 CTSK (0.60) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6800920 0.89 CTSS (0.69) CTSSCTSVCTSLCTSKROCK2
SCHEMBL4459387 0.88 CTSS (0.56) CTSSCTSVCTSLCTSKCTSB

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 4 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

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.