SCHEMBL1860725

SCHEMBL1860725

O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.52
THRB P10828 1/20 0.52
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PKM P14618 3/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.46

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
SCHEMBL11959665 0.94 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL1868493 0.92 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL11959668 0.90 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL11959667 0.90 PKM (0.49) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL11959670 0.89 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL11959663 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13061291 0.85 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL11959675 0.85 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL1858864 0.84 PKM (0.47) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL8244222 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53HPGD

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 NPC1 1196/4885RAB9A 1514/4885SMN1; SMN2 1855/4885
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels TRPV1, TRPV2, TRPV3 NPC1 1196/4885RAB9A 1514/4885SMN1; SMN2 1855/4885
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 NPC1 1196/4885RAB9A 1514/4885SMN1; SMN2 1855/4885
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels TRPV1, TRPV2, TRPV3 NPC1 1196/4885RAB9A 1514/4885SMN1; SMN2 1855/4885

“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.