SCHEMBL1279036

SCHEMBL1279036

COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 14/20 0.68
CXCR3 P49682 2/20 0.68
PTGES O14684 1/20 0.68
TAS2R8 Q9NYW2 1/20 0.68
CNR2 P34972 2/20 0.67
CNR1 P21554 1/20 0.67
NR3C1 P04150 1/20 0.59
PGR P06401 1/20 0.59
SNCA P37840 1/20 0.56

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
SCHEMBL1169107 0.89 CXCR3 (0.60) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL4913460 0.88 TAS2R14 (0.80) TAS2R14CXCR3CNR2NR3C1PGR
SCHEMBL28729777 0.88 TAS2R14 (0.80) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL2445958 0.85 TAS2R14 (0.82) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL7416861 0.84 PDE4A (0.65) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL1169508 0.83 CXCR3 (0.64) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL1278774 0.81 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8
SCHEMBL1169926 0.81 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8
SCHEMBL1278846 0.81 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8
SCHEMBL1279080 0.81 TAS2R14 (0.77) TAS2R14CXCR3PTGESTAS2R8CNR2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9247759-B2 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2016-02-02 US disclosed
US-20130345222-A1 IDENTIFICATION OF HUMAN T2R RECEPTORS THAT RESPOND TO BITTER COMPOUNDS THAT ELICIT THE BITTER TASTE IN COMPOSITIONS, AND THE USE THEREOF IN ASSAYS TO IDENTIFY COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITIONS AND USE THEREOF FIRMENICH INCORPORATED 2013-12-26 US disclosed
US-20130183252-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND METHODS OF MAKING SAME SENOMYX, INC. (US) 2013-07-18 US disclosed
US-8445692-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX INC. (US) 2013-05-21 US disclosed
US-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF SENOMYX, INC. (US) 2012-04-12 US disclosed
US-8148544-B2 Compounds that inhibit (block) bitter taste in composition and methods of making same SENOMYX, INC. (US) 2012-04-03 US disclosed
US-8076491-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2011-12-13 US disclosed
WO-2011106114-A1 IDENTIFICATION OF HUMAN T2R RECEPTORS AND THE USE THEREOF TO IDENTIFY INHIBITORS (BLOCKERS) OF BITTER TASTE SENOMYX, INC. (US) 2011-09-01 WO disclosed
US-20110207937-A1 Compounds that inhibit (block) bitter taste in composition and methods of making same SENOMYX, INC. (US) 2011-08-25 US disclosed
US-7939671-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2011-05-10 US disclosed
US-20100254916-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2010-10-07 US disclosed
EP-2195656-A2 HUMAN T2R BITTERNESS RECEPTORS AND USES THEREOF Senomyx, Inc. (US) 2010-06-16 EP disclosed
US-20090274632-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2009-11-05 US disclosed
WO-2009025793-A2 HUMAN T2R BITTERNESS RECEPTORS AND USES THEREOF SENOMYX, INC. (US) 2009-02-26 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 (5 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-20110207937-A1 Compounds that inhibit (block) bitter taste in composition and methods of making same TAS2R50, TAS2R1, TAS2R5 TAS2R14 28/4885CXCR3 2240/4885PTGES 698/4885
US-20090274632-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in composition and use thereof TAS2R50, TAS2R1, TAS2R30 TAS2R14 28/4885CXCR3 1366/4885PTGES 1052/4885
US-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF TAS2R50, TAS2R5, TAS2R1 TAS2R14 28/4885CXCR3 1993/4885PTGES 1018/4885
US-20100254916-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof TAS2R50, TAS2R1, TAS2R30 TAS2R14 28/4885CXCR3 1366/4885PTGES 1038/4885
US-20130183252-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND METHODS OF MAKING SAME TAS2R50, TAS2R1, TAS2R5 TAS2R14 28/4885CXCR3 2240/4885PTGES 698/4885

“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.