SCHEMBL5019854

SCHEMBL5019854

CC(C)(CCNC(=O)C(C)(C)S(=O)(=O)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
CYP3A4 P08684 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2C9 P11712 3/20 0.47
CYP2D6 P10635 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53BP1 Q12888 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL15646151 0.93 CNR2 (0.51) CNR2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL15645772 0.91 CNR2 (0.54) CNR2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL15646177 0.89 CYP3A4 (0.47) CNR2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL15646499 0.88 CYP3A4 (0.47) CNR2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL1498553 0.88 CA1 (0.49) CNR2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL14242693 0.85 CNR2 (0.48) CNR2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL1498522 0.83 RORC (0.47) CYP3A4CYP2C19CYP2C9CYP2D6CA1
SCHEMBL15646163 0.83 LMNA (0.53) CNR2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL9978216 0.83 POLB (0.53) CNR2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL15647059 0.83 MEN1 (0.49) CNR2CYP3A4CYP2C19CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (US) 2014-04-24 US disclosed
US-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (US) 2014-04-24 US disclosed
US-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (US) 2014-04-24 US disclosed
WO-2012061926-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-05-18 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-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1S, KCNN4 CNR2 199/4885CYP3A4 322/4885CYP2C19 357/4885

“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.