SCHEMBL14701466

SCHEMBL14701466

Cc1ccc(S(=O)(=O)N2CCC(C(C)(C)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
CACNA1B Q00975 2/20 0.52
NR1I2 O75469 1/20 0.52
EPHX2 P34913 5/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
CNR1 P21554 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
TP53 P04637 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
SCHEMBL3036895 0.93 CYP3A4 (0.54) CYP3A4CACNA1BNR1I2EPHX2MEN1
SCHEMBL3040847 0.82 CACNA1B (0.61) CYP3A4CACNA1BNR1I2EPHX2MEN1
SCHEMBL3035575 0.82 CYP3A4 (0.55) CYP3A4CACNA1BNR1I2MEN1KMT2A
SCHEMBL15108576 0.78 CACNA1B (0.60) CYP3A4CACNA1BNR1I2L3MBTL1HPGD
SCHEMBL3038435 0.75 CACNA1B (0.57) CYP3A4CACNA1BNR1I2KMT2AHPGD
SCHEMBL3030376 0.75 CACNA1B (0.65) CYP3A4CACNA1BNR1I2HPGDLMNA
SCHEMBL3137781 0.74 EPHX2 (0.48) EPHX2MEN1KMT2AL3MBTL1HPGD
SCHEMBL15103434 0.74 CACNA1B (0.67) CYP3A4CACNA1BNR1I2CNR1LMNA
SCHEMBL14701446 0.74 CACNA1B (0.74) CYP3A4CACNA1BNR1I2
SCHEMBL8039809 0.73 CACNA1B (0.66) CYP3A4CACNA1BNR1I2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 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-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D CYP3A4 939/4885CACNA1B 23/4885NR1I2 765/4885

“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.