SCHEMBL702716

SCHEMBL702716

COc1ccc(C(=O)O)c(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
AKR1C3 P42330 6/20 0.50
AKR1C2 P52895 6/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4309752 0.86 SMN1; SMN2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8671847 0.86 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL17197313 0.85 CYP1A2 (0.56) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL2585238 0.83 ALDH1A1 (0.65)
SCHEMBL3480610 0.83 ALDH1A1 (0.64) SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL11873509 0.82 KMT2A (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27480738 0.81 AKR1C3 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11482796 0.80 NPC1 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11482794 0.80 NPC1 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL383820 0.77 ALDH1A1 (0.66) AKR1C3AKR1C2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486258-B2 Compounds and methods for regulating insulin secretion THE BROAD INSTITUTE, INC. (US) 2025-12-02 US disclosed
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-11555031-B2 Compounds and methods for regulating insulin secretion THE BROAD INSTITUTE, INC. (US) 2023-01-17 US 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-3601326-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION The Broad Institute, Inc. (US) 2020-02-05 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-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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US 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
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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 (10 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-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION IAPP, GPR119, PNLIP PRKAB2 290/4885PRKAG1 267/4885PRKAA2 360/4885
US-11555031-B2 Compounds and methods for regulating insulin secretion IAPP, GPR119, INSR PRKAB2 731/4885PRKAG1 744/4885PRKAA2 394/4885
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R40 PRKAB2 2976/4885PRKAG1 2245/4885PRKAA2 3411/4885
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 PRKAB2 3080/4885PRKAG1 2281/4885PRKAA2 3245/4885
US-12486258-B2 Compounds and methods for regulating insulin secretion IAPP, GPR119, PNLIP PRKAB2 290/4885PRKAG1 267/4885PRKAA2 360/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 PRKAB2 3036/4885PRKAG1 2314/4885PRKAA2 3415/4885
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 PRKAB2 3036/4885PRKAG1 2314/4885PRKAA2 3415/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 PRKAB2 3057/4885PRKAG1 2264/4885PRKAA2 3208/4885
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 PRKAB2 1689/4885PRKAG1 1250/4885PRKAA2 2078/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 PRKAB2 2445/4885PRKAG1 2121/4885PRKAA2 4016/4885

“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.