SCHEMBL6749679

SCHEMBL6749679

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.42
PPARG P37231 1/20 0.40
LNPEP Q9UIQ6 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CTSS P25774 4/20 0.38
CTSB P07858 3/20 0.38
CTSK P43235 3/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIA1 P42261 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
SCHEMBL6747644 0.92 CTSL (0.42) CTSLLNPEPCA1CA2CTSS
SCHEMBL6749598 0.90 USP30 (0.44) CTSLPPARGLNPEP
SCHEMBL6752286 0.90 CTSL (0.51) CTSLPPARGMRGPRX4CTSSCTSB
SCHEMBL6988397 0.89 CTSL (0.43) CTSLLNPEPCA1CA2CTSS
SCHEMBL6751806 0.89 CTSL (0.54) CTSLCTSSCTSBCTSKGRIA1
SCHEMBL6747731 0.88 CTSL (0.42) CTSLLNPEPCA1CA2CTSS
SCHEMBL6751310 0.87 CTSB (0.51) CTSLLNPEPCA1CA2CTSS
SCHEMBL6747766 0.87 CTSL (0.40) CTSLLNPEPCA1CA2CTSS
SCHEMBL6988426 0.86 CTSL (0.41) CTSLLNPEPCA1CA2CTSS
SCHEMBL6753439 0.85 CTSK (0.48) CTSLCTSSCTSBCTSK

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 23/4885PPARG 4576/4885LNPEP 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.