SCHEMBL1863465

SCHEMBL1863465

O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.51
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN8A Q9UQD0 1/20 0.41

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
SCHEMBL8244471 0.87 KDM4E (0.47) KDM4ESCN9AALDH1A1KMT2AMEN1
SCHEMBL27749772 0.86 KDM4E (0.43) SLC40A1KDM4EALDH1A1KMT2AMEN1
SCHEMBL13007613 0.84 RXFP1 (0.45) ALDH1A1KMT2AMEN1
SCHEMBL1856352 0.82 KDM4E (0.53) KDM4EALDH1A1KMT2AMEN1SCN1A
SCHEMBL11959664 0.80 POLB (0.47) SLC40A1KDM4ESCN9AALDH1A1KMT2A
SCHEMBL8244222 0.80 NPC1 (0.57) NPC1RAB9ASCN9AALDH1A1KMT2A
SCHEMBL1856944 0.79 SLC40A1 (0.51) SLC40A1KDM4EALDH1A1KMT2A
SCHEMBL13061285 0.79 SLC40A1 (0.51) SLC40A1KDM4EALDH1A1
SCHEMBL11959669 0.79 MAPK1 (0.48) SLC40A1KDM4ESCN9AALDH1A1KMT2A
SCHEMBL14962381 0.79 SLC40A1 (0.48) SLC40A1KDM4ESCN9AALDH1A1KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492403-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-23 US disclosed
US-8492403-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-23 US disclosed
US-8492403-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-23 US disclosed
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 US disclosed
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 US disclosed
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 US disclosed
US-8357702-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-22 US disclosed
US-8357702-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-22 US disclosed
US-8357702-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-22 US disclosed
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-12 US disclosed
US-7855220-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
US-7855220-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
US-7855220-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
EP-1928871-A2 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-06-11 EP disclosed
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
WO-2007030618-A2 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 WO disclosed
WO-2007030618-A2 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 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 (4 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-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 SLC40A1 3181/4885KDM4E 3322/4885NPC1 1196/4885
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels TRPV1, TRPV2, TRPV3 SLC40A1 3181/4885KDM4E 3322/4885NPC1 1196/4885
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 SLC40A1 3181/4885KDM4E 3322/4885NPC1 1196/4885
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels TRPV1, TRPV2, TRPV3 SLC40A1 3181/4885KDM4E 3322/4885NPC1 1196/4885

“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.