SCHEMBL1674803

SCHEMBL1674803

CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.55
▸ ITGB1 P05556 1/20 0.55
▸ ITGAV P06756 1/20 0.55
▸ ITGA5 P08648 1/20 0.55
▸ ITGB5 P18084 1/20 0.55
▸ ELANE P08246 4/20 0.52
▸ KLKB1 P03952 1/20 0.51
▸ ERBB2 P04626 1/20 0.50
▸ EPHA2 P29317 2/20 0.50
▸ ST14 Q9Y5Y6 1/20 0.50
▸ PIN1 Q13526 2/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ OXTR P30559 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL29666555 0.86 HDAC4 (0.57) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29779763 0.85 ABCB1 (0.51) —
SCHEMBL29666793 0.83 PIN1 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL26935056 0.81 ITGB3 (0.61) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666543 0.81 PIN1 (0.58) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666562 0.81 HDAC4 (0.57) ERBB2HDAC4
SCHEMBL26935045 0.81 KRAS (0.58) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL25937942 0.81 OPRM1 (0.53) HDAC4
SCHEMBL29666563 0.81 HDAC4 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL15336164 0.80 TFPI (0.57) ITGB3ITGB1ITGAVITGA5ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 — — US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 — — US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 — — EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 — — US disclosed
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 — — US disclosed
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 — — EP disclosed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 — — US disclosed
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2019-06-13 — — US disclosed
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-09-27 — — US disclosed
EP-3368542-A2 HIGH INTENSITY SWEETENERS Senomyx, Inc. (US) 2018-09-05 — — EP disclosed
WO-2017075257-A2 HIGH INTENSITY SWEETENERS SENOMYX, INC. (US) 2017-05-04 — — WO disclosed
US-20170119032-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED 2017-05-04 — — US disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 — — US disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 — — US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 — — US disclosed
US-8609362-B2 G-proteins GIVAUDAN SA (CH) 2013-12-17 — — US disclosed
US-20110177545-A1 G-PROTEINS GIVAUDAN SA (CH) 2011-07-21 — — US disclosed
US-7919236-B2 G-proteins GIVAUDAN SA (CH) 2011-04-05 — — US disclosed
EP-1581555-B1 CHIMERIC ALPHA Q-GUSTDUCIN G-PROTEINS GIVAUDAN SA (CH) 2008-04-30 — — EP disclosed
US-20060275765-A1 G-proteins GIVAUDAN SA (CH) 2006-12-07 — — 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 (11 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ITGB3 3770/4885ITGB1 3166/4885ITGAV 2649/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ITGB3 3770/4885ITGB1 3166/4885ITGAV 2649/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 ITGB3 1249/4885ITGB1 1027/4885ITGAV 1940/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 ITGB3 4515/4885ITGB1 4488/4885ITGAV 4024/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ITGB3 3770/4885ITGB1 3166/4885ITGAV 2649/4885
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 ITGB3 4397/4885ITGB1 4553/4885ITGAV 3860/4885
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 ITGB3 4397/4885ITGB1 4553/4885ITGAV 3860/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D ITGB3 4258/4885ITGB1 3823/4885ITGAV 4581/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ITGB3 3770/4885ITGB1 3166/4885ITGAV 2649/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ITGB3 3770/4885ITGB1 3166/4885ITGAV 2649/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 ITGB3 4397/4885ITGB1 4553/4885ITGAV 3860/4885

“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.

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