SCHEMBL6749652

SCHEMBL6749652

CN(C(=O)C(Cc1cccc(O)c1)NC(=O)c1ccc(OC(F)(F)F)cc1)C1(C)COCC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.44
KLKB1 P03952 1/20 0.40
GPR132 Q9UNW8 1/20 0.39
CTSL P07711 2/20 0.39
HPGDS O60760 1/20 0.36
FPR2 P25090 1/20 0.36
KIFC1 Q9BW19 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
USP30 Q70CQ3 1/20 0.36
NLRP3 Q96P20 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6749601 0.90 TRPV1 (0.41) TRPV1KLKB1GPR132KIFC1USP30
SCHEMBL6752290 0.90 CTSL (0.46) GPR132CTSLHPGDSKIFC1MRGPRX4
SCHEMBL6752292 0.90 HPGDS (0.37) CTSLHPGDSMRGPRX4NLRP3LMNA
SCHEMBL6751642 0.88 CTSL (0.45) CTSLHPGDSNLRP3
SCHEMBL6747834 0.88 HPGDS (0.44) CTSLHPGDS
SCHEMBL6749630 0.87 HPGDS (0.39) CTSLHPGDS
SCHEMBL6985444 0.86 HPGDS (0.39) CTSLHPGDSNLRP3
SCHEMBL6749631 0.83 CTSK (0.41) TRPV1CTSL
SCHEMBL6747703 0.83 CTSL (0.40) CTSLHPGDS
SCHEMBL6752382 0.83 HPGDS (0.47) CTSLHPGDS

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 4447/4885KLKB1 572/4885GPR132 3284/4885

“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.