SCHEMBL6749598

SCHEMBL6749598

CC1OCC(=O)C1(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
KLKB1 P03952 1/20 0.44
TRPV1 Q8NER1 3/20 0.42
CTSL P07711 2/20 0.39
EPHX2 P34913 3/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
LNPEP Q9UIQ6 2/20 0.39
GPR132 Q9UNW8 1/20 0.38
KIFC1 Q9BW19 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
ERAP2 Q6P179 1/20 0.36

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
SCHEMBL6749648 0.90 TRPV1 (0.45) USP30KLKB1TRPV1CTSLGPR132
SCHEMBL6749679 0.90 CTSL (0.42) CTSLPPARGLNPEP
SCHEMBL6747766 0.89 CTSL (0.40) CTSLLNPEPERAP2
SCHEMBL6747644 0.87 CTSL (0.42) USP30CTSLLNPEPERAP2
SCHEMBL6749621 0.86 CTSK (0.45) CTSL
SCHEMBL6988397 0.86 CTSL (0.43) CTSLLNPEPERAP2
SCHEMBL6751806 0.86 CTSL (0.54) USP30CTSL
SCHEMBL6747731 0.85 CTSL (0.42) CTSLLNPEPERAP2
SCHEMBL6751310 0.84 CTSB (0.51) CTSLLNPEPERAP2
SCHEMBL6988426 0.83 CTSL (0.41) CTSLLNPEPERAP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1362042-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057249-A1 CYCLIC 2-CARBONYLAMINOKETONES AS 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 (1 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 USP30 2184/4885KLKB1 572/4885TRPV1 4447/4885

“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.