SCHEMBL702118

SCHEMBL702118

CSc1ccc(C(=O)O)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.57
TAS1R1 Q7RTX1 3/20 0.57
AR P10275 1/20 0.53
TSHR P16473 4/20 0.49
MYC P01106 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
PTPN7 P35236 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GRM1 Q13255 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL38659004 1.00 TAS1R3 (0.57) TAS1R3TAS1R1ARTSHRMYC
SCHEMBL2647108 0.85 TAS1R3 (0.54) TAS1R3TAS1R1ARTSHRMYC
SCHEMBL701970 0.84 TAS1R3 (0.50) TAS1R3TAS1R1ARTSHRMYC
SCHEMBL10361232 0.84 TAS1R3 (0.57) TAS1R3TAS1R1ARMEN1KMT2A
SCHEMBL858842 0.82 TAS1R3 (0.55) TAS1R3TAS1R1AR
SCHEMBL9914236 0.81 SMN1; SMN2 (0.59) TAS1R3TAS1R1TDP1MEN1KMT2A
SCHEMBL12492117 0.79 TAS1R3 (0.56) TAS1R3TAS1R1TSHRALOX15HSD17B10
SCHEMBL11808775 0.79 TAS1R3 (0.53) TAS1R3TAS1R1ARTSHRMYC
SCHEMBL2593928 0.79 GRM1 (0.47) TAS1R3TAS1R1ARTSHRMYC
SCHEMBL9197357 0.79 TAS1R3 (0.51) TAS1R3TAS1R1ARTSHRALOX15

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947716-A Preparation method of 2, 3-dimethyl-4-methylsulfonyl methyl benzoate 绍兴贝斯美化工股份有限公司 2023-10-27 CN claimed
CN-116947775-A Preparation method of 3- (4, 5-dihydro-3-isoxazolyl) -2-methyl-4-methylsulfonyl methyl benzoate 绍兴贝斯美化工股份有限公司 2023-10-27 CN claimed
CN-115304523-B Synthesis method of 3-methyl-2-chloro-4-methylsulfonyl benzoic acid 帕潘纳(北京)科技有限公司 2023-11-10 CN disclosed
CN-116947716-A Preparation method of 2, 3-dimethyl-4-methylsulfonyl methyl benzoate 绍兴贝斯美化工股份有限公司 2023-10-27 CN disclosed
CN-116947775-A Preparation method of 3- (4, 5-dihydro-3-isoxazolyl) -2-methyl-4-methylsulfonyl methyl benzoate 绍兴贝斯美化工股份有限公司 2023-10-27 CN disclosed
CN-115304523-A Synthetic method of 3-methyl-2-chloro-4-methylsulfonylbenzoic acid 帕潘纳(北京)科技有限公司 2022-11-08 CN disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 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-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
EP-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 EP disclosed
CN-101400336-A Novel flavoring agents, taste modifiers, tastants, taste enhancers, umami or sweeteners and/or enhancers and uses thereof SENOMYX INC (US) 2009-04-01 CN 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
CN-101203142-A Aromatic amides and ureas and their uses as sweet and/or delicate flavor modifiers, flavouring agents and taste enhancers SENOMYX INC (US) 2008-06-18 CN disclosed
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
EP-1659881-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2006-05-31 EP 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
WO-2005041684-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC. (US) 2005-05-12 WO 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 (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-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 2/4885AR 3824/4885
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 2/4885AR 4014/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 TAS1R3 5/4885TAS1R1 2/4885AR 3802/4885
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 3/4885AR 4037/4885
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 11/4885AR 4127/4885

“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.