SCHEMBL4453044

SCHEMBL4453044

C=Cc1ccc(C(=O)NC(Cc2cccnc2)C(=O)N2CCC3OCC(=O)C32)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.54
CTSS P25774 8/20 0.54
CTSV O60911 4/20 0.54
CTSL P07711 4/20 0.54
ACE P12821 2/20 0.44
ROCK2 O75116 1/20 0.39
CTSB P07858 1/20 0.39
GPR132 Q9UNW8 1/20 0.39
CYP51A1 Q16850 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL4452743 0.90 CTSK (0.57) CTSKCTSSCTSVCTSLROCK2
SCHEMBL6802793 0.90 CTSS (0.66) CTSKCTSSCTSVCTSLACE
SCHEMBL4452648 0.90 CTSS (0.64) CTSKCTSSCTSVCTSLACE
SCHEMBL4453058 0.89 CTSS (0.56) CTSKCTSSCTSVCTSLACE
SCHEMBL5261496 0.88 CTSK (0.71) CTSKCTSSCTSVCTSLACE
SCHEMBL5256148 0.88 CTSK (0.59) CTSKCTSSCTSVCTSLACE
SCHEMBL4444777 0.88 CTSK (0.59) CTSKCTSSCTSVCTSLACE
SCHEMBL5255850 0.87 CTSK (0.56) CTSKCTSSCTSVCTSLACE
SCHEMBL5096042 0.86 CTSS (0.57) CTSKCTSSCTSVCTSLACE
SCHEMBL4448227 0.86 CTSK (0.55) CTSKCTSSCTSVCTSL

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 CTSK 62/4885CTSS 39/4885CTSV 27/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSK 45/4885CTSS 21/4885CTSV 18/4885

“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.