SCHEMBL1498387

SCHEMBL1498387

CC(C)(C)OC(=O)NC1CC(Sc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
KDM1A O60341 2/20 0.43
MAOB P27338 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 2/20 0.40
RORC P51449 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNA3 P22001 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL1498389 1.00 KMT2A (0.45) KMT2AMEN1RXFP1KDM1AMAOB
SCHEMBL12692937 1.00 KMT2A (0.45) KMT2AMEN1RXFP1KDM1AMAOB
SCHEMBL12688441 0.90 KDM1A (0.47) KMT2AMEN1RXFP1KDM1AMAOB
SCHEMBL12688425 0.90 KDM1A (0.47) KMT2AMEN1RXFP1KDM1AMAOB
SCHEMBL1498454 0.84 RORC (0.44) KMT2AMEN1RXFP1KDM1AMAOB
SCHEMBL1498455 0.84 RORC (0.44) KMT2AMEN1RXFP1KDM1AMAOB
SCHEMBL12688487 0.84 KDM1A (0.46) KMT2AKDM1AMAOBL3MBTL1EPHX2
SCHEMBL12688549 0.84 KDM1A (0.46) KMT2AKDM1AMAOBL3MBTL1EPHX2
SCHEMBL1498502 0.84 MEN1 (0.44) KMT2AMEN1L3MBTL1EPHX2KDM4E
SCHEMBL1498500 0.84 MEN1 (0.44) KMT2AMEN1L3MBTL1EPHX2KDM4E

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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 US disclosed
EP-2477963-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Zalicus Pharmaceuticals Ltd. (CA) 2012-07-25 EP disclosed
WO-2011035159-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-24 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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1A KMT2A 3950/4885MEN1 4176/4885RXFP1 4001/4885

“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.