SCHEMBL1498342

SCHEMBL1498342

O=C(O)NC1CCC(Sc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.46
EPHX2 P34913 2/20 0.46
POLB P06746 3/20 0.45
HTT P42858 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
CCR2 P41597 2/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
IDH2 P48735 1/20 0.40

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
SCHEMBL1498344 1.00 SMYD3 (0.46) SMYD3EPHX2POLBHTTSIGMAR1
SCHEMBL1498444 1.00 SMYD3 (0.46) SMYD3EPHX2POLBHTTSIGMAR1
SCHEMBL1498502 0.88 MEN1 (0.44) SMYD3EPHX2POLBHTTSIGMAR1
SCHEMBL1498500 0.88 MEN1 (0.44) SMYD3EPHX2POLBHTTSIGMAR1
SCHEMBL12688425 0.84 KDM1A (0.47) SMYD3EPHX2POLBHTTCCR2
SCHEMBL12688441 0.84 KDM1A (0.47) SMYD3EPHX2POLBHTTCCR2
SCHEMBL1997801 0.84 TEAD1 (0.42) EPHX2HTTSIGMAR1GAALMNA
SCHEMBL11439007 0.83 HTR2C (0.44) KDM4E
SCHEMBL1498284 0.83 NOTUM (0.49) POLBGAAALDH1A1KDM4EIDH2
SCHEMBL10476058 0.81 POLB (0.47) SMYD3EPHX2POLBHTTSIGMAR1

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 SMYD3 3839/4885EPHX2 4370/4885POLB 4520/4885

“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.