SCHEMBL701529

SCHEMBL701529

CC(C)CC(NC(=O)c1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.78
TAS1R1 Q7RTX1 10/20 0.78
GRN P28799 2/20 0.61
SORT1 Q99523 2/20 0.61
PKM P14618 1/20 0.56
BACE1 P56817 1/20 0.54
ALPL P05186 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 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
SCHEMBL20266296 1.00 TAS1R3 (0.78) TAS1R3TAS1R1GRNSORT1PKM
SCHEMBL701528 1.00 TAS1R3 (0.78) TAS1R3TAS1R1GRNSORT1PKM
SCHEMBL23440087 0.88 TAS1R3 (1.00) TAS1R3TAS1R1
SCHEMBL703033 0.88 TAS1R3 (1.00) TAS1R3TAS1R1
SCHEMBL703032 0.88 TAS1R3 (1.00) TAS1R3TAS1R1
SCHEMBL701201 0.86 TAS1R3 (0.73) TAS1R3TAS1R1PKMBACE1ALPL
SCHEMBL701200 0.86 TAS1R3 (0.73) TAS1R3TAS1R1PKMBACE1ALPL
SCHEMBL25496991 0.85 TAS1R3 (0.83) TAS1R3TAS1R1PKMSMN1; SMN2
SCHEMBL6181873 0.85 TAS1R3 (0.67) TAS1R3TAS1R1BACE1
SCHEMBL10226509 0.83 TAS1R3 (1.00) TAS1R3TAS1R1PKMGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874361-B Compound with anticancer activity and preparation method thereof 医药生命融合研究团 2024-07-12 CN claimed
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US claimed
EP-3939968-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME Medicinal Bioconvergence Research Center (KR) 2022-01-19 EP claimed
CN-113874361-A Novel compound with anticancer activity and preparation method thereof 医药生命融合研究团 2021-12-31 CN claimed
WO-2020204548-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME 재단법인 의약바이오컨버젼스연구단 2020-10-08 WO claimed
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 claimed
CN-113874361-B Compound with anticancer activity and preparation method thereof 医药生命融合研究团 2024-07-12 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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 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
EP-3939968-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME Medicinal Bioconvergence Research Center (KR) 2022-01-19 EP disclosed
CN-113874361-A Novel compound with anticancer activity and preparation method thereof 医药生命融合研究团 2021-12-31 CN disclosed
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 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
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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 TAS1R3 4151/4885TAS1R1 3667/4885GRN 2449/4885
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 2/4885GRN 1568/4885
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 3/4885GRN 1313/4885
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 11/4885GRN 2521/4885
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 4/4885GRN 2608/4885

“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.