SCHEMBL704949

SCHEMBL704949

CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.78
TAS1R1 Q7RTX1 2/20 0.78
PIN1 Q13526 6/20 0.64
CTSK P43235 5/20 0.60
CTSB P07858 1/20 0.58
CTSS P25774 1/20 0.58
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
ICMT O60725 1/20 0.54
GRN P28799 1/20 0.53
SORT1 Q99523 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
SCHEMBL3078403 1.00 TAS1R3 (0.78) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL14362858 0.90 TAS1R3 (0.78) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL7241995 0.88 TAS1R3 (1.00) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL10226447 0.88 TAS1R3 (1.00) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL4192862 0.88 TAS1R3 (1.00) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL6660145 0.88 TAS1R3 (0.64) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL3913711 0.87 PIN1 (0.64) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL14605678 0.87 TAS1R3 (0.70) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL4144456 0.83 TAS1R3 (0.65) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL5434145 0.83 TAS1R3 (0.65) TAS1R3TAS1R1PIN1CTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2020-07-16 US disclosed
US-20200049699-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS SENOMYX, INC. 2020-02-13 US disclosed
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2020-02-11 US disclosed
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED 2018-12-20 US disclosed
US-20130030059-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS FIRMENICH INCORPORATED 2013-01-31 US disclosed
US-8124121-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX, INC. (US) 2012-02-28 US disclosed
US-7888470-B2 Chimeric T1R taste receptor polypeptides and nucleic acid sequences encoding and cell lines that express said chimeric T1R polypeptides SENOMYX, INC. (US) 2011-02-15 US disclosed
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP disclosed
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX, INC. 2009-04-30 US disclosed
US-20080085994-A1 Chimeric binding protein for use in identifying compounds which respond to umami taste stimuli and sweet taste stimuli SENOMYX, INC. 2008-04-10 US disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
EP-1796793-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 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 (9 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-20200049699-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS TAS1R2, TAS1R1, TAS2R1 TAS1R3 4/4885TAS1R1 2/4885PIN1 3264/4885
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R40 TAS1R3 5/4885TAS1R1 2/4885PIN1 4074/4885
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 TAS1R3 5/4885TAS1R1 2/4885PIN1 3890/4885
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 TAS1R3 5/4885TAS1R1 2/4885PIN1 4068/4885
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 TAS1R3 5/4885TAS1R1 2/4885PIN1 4068/4885
US-20130030059-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS TAS1R1, TAS1R2, TAS2R1 TAS1R3 4/4885TAS1R1 1/4885PIN1 3285/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 TAS1R3 5/4885TAS1R1 3/4885PIN1 3913/4885
US-20070293477-A1 Novel Compounds HRH4, TRPV4, TRPC4 TAS1R3 923/4885TAS1R1 1195/4885PIN1 2125/4885
US-20080085994-A1 Chimeric binding protein for use in identifying compounds which respond to umami taste stimuli and sweet taste stimuli TAS1R3, TAS1R2, TAS2R30 TAS1R3 1/4885TAS1R1 4/4885PIN1 2682/4885

“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.