SCHEMBL4451222

SCHEMBL4451222

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21)c1ccc(OC(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.51
CTSS P25774 4/20 0.51
CTSV O60911 3/20 0.51
CTSL P07711 3/20 0.51
ACE P12821 3/20 0.43
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
TSHR P16473 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
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
SCHEMBL4448433 0.95 CTSK (0.56) CTSKCTSSCTSVCTSLACE
SCHEMBL4454184 0.89 CTSK (0.52) CTSKCTSSCTSVCTSLACE
SCHEMBL13677312 0.89 CTSK (0.52) CTSKCTSSCTSVCTSLACE
SCHEMBL4451620 0.89 CTSK (0.52) CTSKCTSSCTSVCTSLACE
SCHEMBL6798797 0.89 CTSS (0.58) CTSKCTSSCTSVCTSLACE
SCHEMBL4458993 0.88 CTSK (0.56) CTSKCTSSCTSVCTSLITGB3
SCHEMBL4452878 0.88 CTSK (0.56) CTSKCTSSCTSVCTSLACE2
SCHEMBL4446632 0.88 CTSK (0.56) CTSKCTSSCTSVCTSL
SCHEMBL4454290 0.88 CTSK (0.56) CTSKCTSSCTSVCTSLITGB3
SCHEMBL4458894 0.87 CTSK (0.57) CTSKCTSSCTSVCTSLACE

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.