SCHEMBL4453058

SCHEMBL4453058

O=C(NC(Cc1cccnc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.56
CTSK P43235 6/20 0.56
CTSV O60911 4/20 0.56
CTSL P07711 4/20 0.56
ACE P12821 2/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
ROCK2 O75116 2/20 0.41
GPR132 Q9UNW8 1/20 0.41
CTSB P07858 1/20 0.41
CYP51A1 Q16850 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL6802793 0.92 CTSS (0.66) CTSSCTSKCTSVCTSLACE
SCHEMBL4448318 0.91 CTSS (0.54) CTSSCTSKCTSVCTSLACE
SCHEMBL4444777 0.90 CTSK (0.59) CTSSCTSKCTSVCTSLACE
SCHEMBL5261496 0.90 CTSK (0.71) CTSSCTSKCTSVCTSLACE
SCHEMBL5256148 0.90 CTSK (0.59) CTSSCTSKCTSVCTSLACE
SCHEMBL4452892 0.90 CTSK (0.60) CTSSCTSKCTSVCTSLROCK2
SCHEMBL4448440 0.89 CTSS (0.67) CTSSCTSKCTSVCTSLACE
SCHEMBL5255850 0.89 CTSK (0.56) CTSSCTSKCTSVCTSLACE
SCHEMBL4453044 0.89 CTSK (0.54) CTSSCTSKCTSVCTSLACE
SCHEMBL5096042 0.89 CTSS (0.57) CTSSCTSKCTSVCTSLACE

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