SCHEMBL1691107

SCHEMBL1691107

CC(C)(C)[S+]([O-])N[C@H](c1cnc(N)s1)c1ccc(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.34
JAK2 O60674 2/20 0.31
PTGER3 P43115 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL1690725 1.00 MDM2 (0.34) MDM2JAK2PTGER3TRPV1
SCHEMBL1690721 1.00 MDM2 (0.34) MDM2JAK2PTGER3TRPV1
SCHEMBL1690724 1.00 MDM2 (0.34) MDM2JAK2PTGER3TRPV1
SCHEMBL16678115 1.00 MDM2 (0.34) MDM2JAK2PTGER3TRPV1
SCHEMBL1691110 1.00 MDM2 (0.34) MDM2JAK2PTGER3TRPV1
SCHEMBL10110203 0.87 HPGD (0.35)
SCHEMBL19003788 0.87 HPGD (0.35)
SCHEMBL10110202 0.87 HPGD (0.35)
SCHEMBL1690761 0.85 KCNH2 (0.32) PTGER3
SCHEMBL1690755 0.85 KCNH2 (0.32) PTGER3

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-9856248-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-02 US disclosed
US-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2017-06-22 US disclosed
US-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2017-06-22 US disclosed
US-20160237079-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMA (US) 2016-08-18 US disclosed
US-9351962-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-31 US disclosed
US-20150126566-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2015-05-07 US disclosed
US-8962856-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
US-20140121381-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-01 US disclosed
US-8586615-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20120010257-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 US disclosed
US-7999113-B2 Such as 1-(benzo[d][1,3]dioxol-6-yl)-n-(5-((2-chlorophenyl)(3-hydroxypyrrolidin-1-yl)methyl)thiazol-2-yl)cyclopropanecarboxamide; genetic disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-16 US disclosed
EP-1912983-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2011-06-08 EP disclosed
CN-101287732-A Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMA (US) 2008-10-15 CN disclosed
US-20080161371-A1 Modulators of cystic fibrosis transmembrane conductance regulator FIRST-CITIZENS BANK & TRUST COMPANY 2008-07-03 US disclosed
EP-1912983-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals, Inc. (US) 2008-04-23 EP disclosed
WO-2007021982-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 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 (6 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-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B MDM2 4779/4885JAK2 3234/4885PTGER3 1140/4885
US-20120010257-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MDM2 4779/4885JAK2 3234/4885PTGER3 1140/4885
US-20150126566-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B MDM2 4779/4885JAK2 3234/4885PTGER3 1140/4885
US-20140121381-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MDM2 4779/4885JAK2 3234/4885PTGER3 1140/4885
US-20160237079-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B MDM2 4779/4885JAK2 3234/4885PTGER3 1140/4885
US-20080161371-A1 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B MDM2 4779/4885JAK2 3234/4885PTGER3 1140/4885

“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.