SCHEMBL6749648

SCHEMBL6749648

CC1OCC(=O)C1(C)NC(=O)C(Cc1cccc(O)c1)NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.45
KLKB1 P03952 1/20 0.43
CTSL P07711 5/20 0.42
GPR132 Q9UNW8 1/20 0.40
USP30 Q70CQ3 1/20 0.39
KIFC1 Q9BW19 1/20 0.38
HPGDS O60760 1/20 0.37
FPR2 P25090 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
NLRP3 Q96P20 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
SCHEMBL6752286 0.90 CTSL (0.51) CTSLGPR132HPGDSMRGPRX4CTSB
SCHEMBL6749598 0.90 USP30 (0.44) TRPV1KLKB1CTSLGPR132USP30
SCHEMBL6752289 0.90 CTSL (0.40) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6751639 0.88 CTSL (0.50) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6747828 0.87 CTSL (0.47) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6749622 0.87 CTSB (0.42) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6747732 0.86 CTSL (0.40) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6751875 0.85 CTSB (0.46) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6747821 0.85 CTSL (0.39) CTSLHPGDSCTSBCTSSCTSK
SCHEMBL6988282 0.83 TRPV1 (0.41) TRPV1CTSLCTSSCTSK

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 TRPV1 4447/4885KLKB1 572/4885CTSL 23/4885

“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.