SCHEMBL3286957

SCHEMBL3286957

CNS(=O)(=O)c1ccc([C@@H]2[C@H](NC(=O)c3cc(Cl)c(OC)cc3OC)C2(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.46
FLT1 P17948 3/20 0.43
FLT4 P35916 3/20 0.43
KDR P35968 3/20 0.43
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN9A Q15858 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38

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
SCHEMBL3286951 1.00 NLRP3 (0.46) NLRP3FLT1FLT4KDRGAA
SCHEMBL3287713 0.90 SCN9A (0.41) FLT1FLT4KDRGAAKDM4E
SCHEMBL3287705 0.90 SCN9A (0.41) FLT1FLT4KDRGAAKDM4E
SCHEMBL3287702 0.90 SCN9A (0.41) FLT1FLT4KDRGAAKDM4E
SCHEMBL3290549 0.89 NLRP3 (0.58) NLRP3FLT1FLT4KDRMEN1
SCHEMBL3286469 0.89 CA1 (0.47) NLRP3FLT1FLT4KDRMEN1
SCHEMBL3286462 0.89 CA1 (0.47) NLRP3FLT1FLT4KDRMEN1
SCHEMBL3287730 0.89 CA1 (0.47) NLRP3FLT1FLT4KDRMEN1
SCHEMBL3290540 0.89 NLRP3 (0.58) NLRP3FLT1FLT4KDRMEN1
SCHEMBL3286464 0.89 CA1 (0.47) NLRP3FLT1FLT4KDRMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP claimed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US claimed
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof AR, ADRA2A, ADRA1A NLRP3 2534/4885FLT1 2697/4885FLT4 3644/4885

“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.