SCHEMBL1856944

SCHEMBL1856944

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 8/20 0.51
COMT P21964 3/20 0.41
FTO Q9C0B1 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13061285 0.88 SLC40A1 (0.51) SLC40A1COMTFTOKDM4EALDH1A1
SCHEMBL14451436 0.84 SLC40A1 (0.48) SLC40A1COMTFTOKDM4EALDH1A1
SCHEMBL10889051 0.83 ATM (0.50) SLC40A1COMTFTOALDH1A1CYP1A2
SCHEMBL1863465 0.79 SLC40A1 (0.51) SLC40A1KDM4EALDH1A1KMT2A
SCHEMBL1337686 0.76 KMT2A (0.51) KDM4EHSD17B10TP53KMT2A
SCHEMBL1859001 0.73 SLC40A1 (0.70) SLC40A1KDM4EALDH1A1CYP1A2KMT2A
SCHEMBL17960045 0.72 COMT (0.47) SLC40A1COMTFTOKDM4EALDH1A1
SCHEMBL11274678 0.72 COMT (0.73) COMTFTOKDM4EALDH1A1
SCHEMBL10889120 0.71 COMT (0.58) SLC40A1COMTFTOALDH1A1CYP1A2
SCHEMBL28421262 0.71 SLC40A1 (0.50) SLC40A1KDM4EALDH1A1CYP1A2HSD17B10

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 3181/4885COMT 3822/4885FTO 4749/4885
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels TRPV1, TRPV2, TRPV3 SLC40A1 3181/4885COMT 3822/4885FTO 4749/4885
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 SLC40A1 3181/4885COMT 3822/4885FTO 4749/4885
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels TRPV1, TRPV2, TRPV3 SLC40A1 3181/4885COMT 3822/4885FTO 4749/4885

“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.