SCHEMBL11959664

SCHEMBL11959664

O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12)c1cc(F)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC40A1 Q9NP59 1/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN9A Q15858 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1856352 0.90 KDM4E (0.53) ALDH1A1MEN1KMT2ASCN1ASCN5A
SCHEMBL14962381 0.84 SLC40A1 (0.48) ALDH1A1MEN1KMT2ASLC40A1SCN1A
SCHEMBL8244471 0.82 KDM4E (0.47) POLBALDH1A1MEN1KMT2ASCN1A
SCHEMBL1863465 0.80 SLC40A1 (0.51) ALDH1A1MEN1KMT2ASLC40A1SCN1A
SCHEMBL27749772 0.80 KDM4E (0.43) ALDH1A1MEN1KMT2ASLC40A1KDM4E
SCHEMBL11959669 0.79 MAPK1 (0.48) ALDH1A1MEN1KMT2ASLC40A1SCN1A
SCHEMBL13007613 0.78 RXFP1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1857366 0.77 SLC40A1 (0.45) ALDH1A1MEN1KMT2ASLC40A1SCN1A
SCHEMBL8244222 0.75 NPC1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2SCN9A
SCHEMBL1855121 0.73 KMT2A (0.63) POLBMEN1KMT2ASMN1; SMN2L3MBTL1

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 16 patents. 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-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-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-8236829-B2 Bicyclic derivatives as modulators of voltage gated ION channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-8236829-B2 Bicyclic derivatives as modulators of voltage gated ION channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-12 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-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

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 POLB 4449/4885ALDH1A1 3195/4885MEN1 4811/4885
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels TRPV1, TRPV2, TRPV3 POLB 4449/4885ALDH1A1 3195/4885MEN1 4811/4885
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 POLB 4449/4885ALDH1A1 3195/4885MEN1 4811/4885
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels TRPV1, TRPV2, TRPV3 POLB 4449/4885ALDH1A1 3195/4885MEN1 4811/4885

“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.