SCHEMBL1279148

SCHEMBL1279148

COc1cc(OC)c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 1.00
MAPT P10636 3/20 0.69
NCOA3 Q9Y6Q9 3/20 0.69
ALDH1A1 P00352 2/20 0.69
KLKB1 P03952 1/20 0.65
CTNNB1 P35222 3/20 0.63
TCF7L2 Q9NQB0 1/20 0.63
TCF4 P15884 1/20 0.60
MITF O75030 2/20 0.58
RAB9A P51151 1/20 0.58
CISD1 Q9NZ45 2/20 0.58
MAOA P21397 1/20 0.58
FABP4 P15090 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 1/20 0.55
HTT P42858 1/20 0.55
PAX8 Q06710 1/20 0.54
PPARG P37231 1/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL1279150 1.00 TAS2R14 (1.00) TAS2R14MAPTNCOA3ALDH1A1KLKB1
SCHEMBL1279146 1.00 TAS2R14 (1.00) TAS2R14MAPTNCOA3ALDH1A1KLKB1
SCHEMBL13005078 0.89 TAS2R14 (0.80) TAS2R14KMT2AMEN1
SCHEMBL6886498 0.87 TAS2R14 (0.77) TAS2R14MAPTNCOA3ALDH1A1KLKB1
SCHEMBL1279037 0.86 TAS2R14 (1.00) TAS2R14MAPTNCOA3ALDH1A1KLKB1
SCHEMBL1279032 0.86 TAS2R14 (1.00) TAS2R14MAPTNCOA3ALDH1A1KLKB1
SCHEMBL1279034 0.86 TAS2R14 (1.00) TAS2R14MAPTNCOA3ALDH1A1KLKB1
SCHEMBL12008785 0.86 TAS2R14 (0.85) TAS2R14MAPTNCOA3ALDH1A1KLKB1
SCHEMBL1279501 0.84 TAS2R14 (1.00) TAS2R14MAPTNCOA3ALDH1A1KLKB1
SCHEMBL1279504 0.84 TAS2R14 (1.00) TAS2R14MAPTNCOA3ALDH1A1KLKB1

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 5 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-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF SENOMYX, INC. (US) 2012-04-12 US disclosed
US-8076491-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2011-12-13 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF TAS2R50, TAS2R5, TAS2R1 TAS2R14 28/4885MAPT 3025/4885NCOA3 1556/4885
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 28/4885MAPT 3501/4885NCOA3 1625/4885

“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.