SCHEMBL6752292

SCHEMBL6752292

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.37
NLRP3 Q96P20 1/20 0.36
CTSL P07711 2/20 0.36
LMNA P02545 2/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34
PTPN1 P18031 3/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
IDO1 P14902 1/20 0.33
HTT P42858 1/20 0.33
PTPN2 P17706 1/20 0.33
CDC25B P30305 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMB5 P28074 1/20 0.33
PYGL P06737 1/20 0.33

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
SCHEMBL6753489 0.90 LNPEP (0.39) CTSLLMNAATMPOLBIDO1
SCHEMBL6749652 0.90 TRPV1 (0.44) HPGDSNLRP3CTSLLMNAMRGPRX4
SCHEMBL6747834 0.88 HPGDS (0.44) HPGDSCTSLRAB9APYGL
SCHEMBL6752290 0.88 CTSL (0.46) HPGDSCTSLLMNAMRGPRX4RAB9A
SCHEMBL6749630 0.88 HPGDS (0.39) HPGDSCTSLMAPK1RAB9APYGL
SCHEMBL6751642 0.87 CTSL (0.45) HPGDSNLRP3CTSLRAB9A
SCHEMBL6985444 0.87 HPGDS (0.39) HPGDSNLRP3CTSLRAB9A
SCHEMBL6747703 0.84 CTSL (0.40) HPGDSCTSLPYGL
SCHEMBL6752382 0.83 HPGDS (0.47) HPGDSCTSL
SCHEMBL6749624 0.82 F10 (0.43) HPGDS

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 HPGDS 1248/4885NLRP3 3345/4885CTSL 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.