SCHEMBL6747731

SCHEMBL6747731

CC(C)c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)NC2(C)C(=O)COC2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.42
CTSK P43235 3/20 0.42
LNPEP Q9UIQ6 2/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
CTSB P07858 3/20 0.38
CTSS P25774 2/20 0.38
TACR2 P21452 1/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
ESRRG P62508 1/20 0.37
ERAP2 Q6P179 1/20 0.37
GRIA1 P42261 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MME P08473 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 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
SCHEMBL6988397 0.90 CTSL (0.43) CTSLCTSKLNPEPCA1CA2
SCHEMBL6751806 0.90 CTSL (0.54) CTSLCTSKCTSBCTSSGRIA1
SCHEMBL6747732 0.89 CTSL (0.40) CTSLCTSKCTSBCTSSTACR2
SCHEMBL6747644 0.89 CTSL (0.42) CTSLCTSKLNPEPCA1CA2
SCHEMBL6749679 0.88 CTSL (0.42) CTSLCTSKLNPEPCA1CA2
SCHEMBL6751310 0.88 CTSB (0.51) CTSLCTSKLNPEPCA1CA2
SCHEMBL6988426 0.87 CTSL (0.41) CTSLCTSKLNPEPCA1CA2
SCHEMBL6747766 0.86 CTSL (0.40) CTSLCTSKLNPEPCA1CA2
SCHEMBL6747838 0.85 CTSK (0.57) CTSLCTSKCTSBCTSS
SCHEMBL6749598 0.85 USP30 (0.44) 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 CTSL 23/4885CTSK 5/4885LNPEP 154/4885

“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.