SCHEMBL709047

SCHEMBL709047

CCC(COC)NC(=O)c1cc2cc(Cl)ccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 1.00
TAS1R1 Q7RTX1 16/20 1.00
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
TAS1R2 Q8TE23 1/20 0.46
ADAMTS4 O75173 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
BCAT1 P54687 1/20 0.45

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
SCHEMBL445061 0.82 TAS1R3 (0.70) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL14270771 0.81 TAS1R3 (0.68) TAS1R3TAS1R1ADAMTS4ADAMTS5BCAT1
SCHEMBL4250954 0.80 TAS1R3 (0.66) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL705448 0.78 TAS1R3 (1.00) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL706250 0.77 TAS1R3 (1.00) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL14270775 0.77 TAS1R3 (0.62) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL14270790 0.77 TAS1R3 (0.62) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL6239408 0.77 HDAC3 (0.60) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL10192991 0.76 TAS1R3 (0.76) TAS1R3TAS1R1
SCHEMBL29827697 0.76 HDAC3 (0.61) TAS1R3TAS1R1HDAC3HDAC1HDAC2

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 61 patents — showing the first 20. 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-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-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-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-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-10352929-B2 T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds SENOMYX, INC. (US) 2019-07-16 US disclosed
US-10352929-B2 T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds SENOMYX, INC. (US) 2019-07-16 US 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-7476399-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX INC. (US) 2009-01-13 US disclosed
US-7476399-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX INC. (US) 2009-01-13 US disclosed
US-7476399-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX INC. (US) 2009-01-13 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-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-20070104709-A1 Non-naturally occurring ligand for umami taste and sweet taste receptor; enhancing response to artificial flavoring FIRMENICH INCORPORATED 2007-05-10 US disclosed
US-20070104709-A1 Non-naturally occurring ligand for umami taste and sweet taste receptor; enhancing response to artificial flavoring FIRMENICH INCORPORATED 2007-05-10 US 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
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products FIRMENICH INCORPORATED 2005-04-21 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 2/4885HDAC3 3676/4885
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 2/4885HDAC3 3274/4885
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 2/4885HDAC3 3537/4885
US-10352929-B2 T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds TAS1R2, TAS1R1, TAS2R1 TAS1R3 4/4885TAS1R1 2/4885HDAC3 3676/4885
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 2/4885HDAC3 3221/4885
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 3/4885HDAC3 3652/4885
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products TAS2R40, TAS2R4, TAS2R30 TAS1R3 17/4885TAS1R1 11/4885HDAC3 1657/4885
US-20070104709-A1 Non-naturally occurring ligand for umami taste and sweet taste receptor; enhancing response to artificial flavoring TAS1R2, TAS1R3, TAS2R30 TAS1R3 2/4885TAS1R1 4/4885HDAC3 3721/4885
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 4/4885HDAC3 4190/4885

“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.