SCHEMBL3287702

SCHEMBL3287702

COc1cc(OC)c(C(=O)NC2C(c3ccc(S(C)(=O)=O)cc3)C2(C)C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
KDM4E B2RXH2 2/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 5/20 0.38
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38
PTGS1 P23219 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
SCHEMBL3287705 1.00 SCN9A (0.41) SCN9AKDM4EFLT1FLT4KDR
SCHEMBL3287713 1.00 SCN9A (0.41) SCN9AKDM4EFLT1FLT4KDR
SCHEMBL3286462 0.91 CA1 (0.47) SCN9AFLT1FLT4KDRCA1
SCHEMBL3287730 0.91 CA1 (0.47) SCN9AFLT1FLT4KDRCA1
SCHEMBL3286464 0.91 CA1 (0.47) SCN9AFLT1FLT4KDRCA1
SCHEMBL3286469 0.91 CA1 (0.47) SCN9AFLT1FLT4KDRCA1
SCHEMBL3286957 0.90 NLRP3 (0.46) SCN9AKDM4EFLT1FLT4KDR
SCHEMBL3286951 0.90 NLRP3 (0.46) SCN9AKDM4EFLT1FLT4KDR
SCHEMBL3289203 0.89 KDM4E (0.46) KDM4EFLT1FLT4KDRNPSR1
SCHEMBL3289194 0.89 KDM4E (0.46) KDM4EFLT1FLT4KDRNPSR1

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 SCN9A 2181/4885KDM4E 3029/4885FLT1 2697/4885

“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.