SCHEMBL6749601

SCHEMBL6749601

CN(C(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(OC(F)(F)F)cc1)C1(C)COCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
USP30 Q70CQ3 1/20 0.41
KLKB1 P03952 1/20 0.40
EPHX2 P34913 3/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
LNPEP Q9UIQ6 2/20 0.38
GPR132 Q9UNW8 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
KIFC1 Q9BW19 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ERAP2 Q6P179 1/20 0.36
HDAC3 O15379 1/20 0.35

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
SCHEMBL6749652 0.90 TRPV1 (0.44) TRPV1USP30KLKB1GPR132ADRB2
SCHEMBL6752335 0.90 BCL2A1 (0.39) EPHX2PPARGPPARALNPEPADRB2
SCHEMBL6753489 0.89 LNPEP (0.39) LNPEPITGB1ITGA4CA1CA2
SCHEMBL6751644 0.87 ESRRG (0.40) USP30LNPEPITGB1ITGA4CA1
SCHEMBL6749631 0.86 CTSK (0.41) TRPV1
SCHEMBL6751314 0.86 CTSB (0.43) LNPEPITGB1ITGA4CA1CA2
SCHEMBL6751811 0.86 CTSL (0.48) USP30ITGB1ITGA4CA1CA2
SCHEMBL6752290 0.80 CTSL (0.46) PPARGGPR132KIFC1
SCHEMBL6752292 0.80 HPGDS (0.37)
SCHEMBL6984404 0.80 ITGB1 (0.40) LNPEPITGB1ITGA4ERAP2

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 1 patent. 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

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 TRPV1 4447/4885USP30 2184/4885KLKB1 572/4885

“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.