SCHEMBL4457853

SCHEMBL4457853

CC(CCNC(=O)c1ccc(OC(F)(F)F)cc1)CC(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.47
CTSK P43235 3/20 0.42
TRPV1 Q8NER1 5/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
EPHX2 P34913 1/20 0.39
CHRM4 P08173 1/20 0.39
DPP4 P27487 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GCGR P47871 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
DHODH Q02127 1/20 0.37
SCN9A Q15858 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
SCHEMBL4451932 0.95 CTSK (0.47) PREPCTSKTRPV1CHRM2CHRM1
SCHEMBL7016550 0.89 CTSK (0.41) CTSKDPP4HRH3CTSVCTSL
SCHEMBL4451291 0.88 CTSK (0.56) CTSKDPP4CTSVCTSLCTSS
SCHEMBL7014847 0.87 CTSK (0.44) CTSKDPP4CTSVCTSLCTSS
SCHEMBL4459112 0.86 CTSS (0.50) PREPCTSKCHRM1DPP4CTSV
SCHEMBL7020885 0.85 CTSK (0.43) CTSKDPP4CTSVCTSLCTSS
SCHEMBL7018355 0.85 CTSK (0.52) CTSKEPHX2CHRM4DPP4CTSV
SCHEMBL4459438 0.85 CTSK (0.48) CTSKDPP4CTSVCTSLCTSS
SCHEMBL7014652 0.84 CTSK (0.44) CTSKDPP4CTSVCTSLCTSS
SCHEMBL4457938 0.84 CTSS (0.47) CTSKCHRM4CTSVCTSLCTSS

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 PREP 33/4885CTSK 62/4885TRPV1 4583/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 PREP 26/4885CTSK 45/4885TRPV1 4176/4885

“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.