SCHEMBL1855121

SCHEMBL1855121

CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
POLB P06746 2/20 0.53
SCN3A Q9NY46 1/20 0.52
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MITF O75030 1/20 0.44
CCR6 P51684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 0.83 KDM4E (0.47) KMT2AMEN1POLBSCN3ALMNA
SCHEMBL8244222 0.83 NPC1 (0.57) KMT2AMEN1SCN3ASMN1; SMN2L3MBTL1
SCHEMBL13007613 0.80 RXFP1 (0.45) KMT2AMEN1SCN3ALMNASMN1; SMN2
SCHEMBL1863465 0.78 SLC40A1 (0.51) KMT2AMEN1
SCHEMBL27749772 0.78 KDM4E (0.43) KMT2AMEN1SCN3ALMNASMN1; SMN2
SCHEMBL1856352 0.76 KDM4E (0.53) KMT2AMEN1SMN1; SMN2
SCHEMBL11959669 0.73 MAPK1 (0.48) KMT2AMEN1SCN3ALMNAMAPK1
SCHEMBL1868493 0.73 NPC1 (0.61) KMT2AMEN1SCN3ASMN1; SMN2L3MBTL1
SCHEMBL1858135 0.73 KMT2A (0.57) KMT2AMEN1SCN3A
SCHEMBL11959664 0.73 POLB (0.47) KMT2AMEN1POLBSMN1; 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 26 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-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-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
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

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 KMT2A 3438/4885MEN1 4811/4885POLB 4449/4885
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels TRPV1, TRPV2, TRPV3 KMT2A 3438/4885MEN1 4811/4885POLB 4449/4885
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 KMT2A 3438/4885MEN1 4811/4885POLB 4449/4885
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels TRPV1, TRPV2, TRPV3 KMT2A 3438/4885MEN1 4811/4885POLB 4449/4885

“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.