SCHEMBL2626716

SCHEMBL2626716

CC(=O)O[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.62
ACE P12821 1/20 0.61
PPARG P37231 15/20 0.58
PPARA Q07869 13/20 0.58
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 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
SCHEMBL1486321 1.00 SRR (0.62) SRRACEPPARGPPARAALPI
SCHEMBL1486323 1.00 SRR (0.62) SRRACEPPARGPPARAALPI
SCHEMBL2501988 0.93 PPARG (0.65) SRRACEPPARGPPARA
SCHEMBL2501991 0.93 PPARG (0.65) SRRACEPPARGPPARA
SCHEMBL2053 0.89 SRR (0.53) SRRACEPPARGPPARAALPI
SCHEMBL5339462 0.87 PPARG (0.71) PPARGPPARAPTGS1
SCHEMBL5309440 0.87 PPARG (0.71) PPARGPPARAPTGS1
SCHEMBL5349209 0.86 SRR (0.50) SRRACEPPARGPPARAALPI
SCHEMBL5349207 0.86 SRR (0.50) SRRACEPPARGPPARAALPI
SCHEMBL5355644 0.86 SRR (0.50) SRRACEPPARGPPARAALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPUETICS INCORPORATED 2022-03-03 US disclosed
US-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPUETICS INCORPORATED 2022-03-03 US disclosed
WO-2020123994-A1 2-((5-(PHENYL)-PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)AMINO)-3-(PHENYL)PROPANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MCL-1 ENZYME INHIBITORS FOR TREATING CANCER PRELUDE THERAPEUTICS, INCORPORATED (US) 2020-06-18 WO disclosed
WO-2020123994-A1 2-((5-(PHENYL)-PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)AMINO)-3-(PHENYL)PROPANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MCL-1 ENZYME INHIBITORS FOR TREATING CANCER PRELUDE THERAPEUTICS, INCORPORATED (US) 2020-06-18 WO disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120197015-A1 EPOXYCARBOXAMIDE COMPOUND, AZIDE COMPOUND, AND AMINO ALCOHOL COMPOUND, AND PROCESS FOR PREPARING a-KETO AMIDE COMPOUND USING THEM SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2012-08-02 US disclosed
US-20120197015-A1 EPOXYCARBOXAMIDE COMPOUND, AZIDE COMPOUND, AND AMINO ALCOHOL COMPOUND, AND PROCESS FOR PREPARING a-KETO AMIDE COMPOUND USING THEM SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2012-08-02 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20080064873-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2008-03-13 US disclosed
US-20080058516-A1 Stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2008-03-06 US disclosed
US-20080058516-A1 Stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2008-03-06 US disclosed
US-7326799-B2 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2008-02-05 US disclosed
US-7326799-B2 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2008-02-05 US disclosed
US-6531617-B2 Adding an acid halide to a solution of aluminum chloride to form an alkylcarbonyloxy chromanone, which is further reacted with lithium (hydro)peroxide at a temperature of < 0 degrees C MERCK & CO., INC. 2003-03-11 US disclosed
US-20020095047-A1 Process for preparing hydroxychomanones and CIS-aminochromanols MERCK & CO., INC. 2002-07-18 US disclosed
EP-0658169-A1 DIAMINO ACID DERIVATIVES AS ANTIHYPERTENSIVES SCHERING CORPORATION (US) 1995-06-21 EP disclosed
US-5298492-A Inhibitors of endopeptidase and treatment of cardiovascular disorders SCHERING CORPORATION (US) 1994-03-29 US disclosed
WO-1994003481-A1 DIAMINO ACID DERIVATIVES AS ANTIHYPERTENSIVES SCHERING CORPORATION (US) 1994-02-17 WO 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 (6 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-20080064873-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents REN, CMA1, AKR1A1 SRR 103/4885ACE 24/4885PPARG 3426/4885
US-20120197015-A1 EPOXYCARBOXAMIDE COMPOUND, AZIDE COMPOUND, AND AMINO ALCOHOL COMPOUND, AND PROCESS FOR PREPARING a-KETO AMIDE COMPOUND USING THEM AKR1C1, AKR1C4, AADAC SRR 527/4885ACE 1454/4885PPARG 3657/4885
US-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CYP2C19, CYP2D6, CYP2C8 SRR 2894/4885ACE 764/4885PPARG 1066/4885
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A SRR 1048/4885ACE 1338/4885PPARG 233/4885
US-20080058516-A1 Stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents CMA1, REN, TPSAB1 SRR 116/4885ACE 7/4885PPARG 3888/4885
US-20020095047-A1 Process for preparing hydroxychomanones and CIS-aminochromanols HACL2, HAAO, APEH SRR 1279/4885ACE 163/4885PPARG 3394/4885

“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.