SCHEMBL1486321

SCHEMBL1486321

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
SCHEMBL2626716 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163943-B2 Epoxycarboxamide compound, azide compound, and amino alcohol compound, and process for preparing α-keto amide compound using them SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2012-04-24 US disclosed
EP-1735332-B1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LAB (US) 2011-10-19 EP disclosed
EP-2289887-A2 Epoxycarboxylic acid amides, azides and amino alcohols and processes for preparation of alpha-keto amides by using them SEIKAGAKU CORPORATION (JP) 2011-03-02 EP disclosed
EP-2289888-A2 Epoxycarboxylic acid amides, azides and amino alcohols and processes for preparation of alpha-keto amides by using them SEIKAGAKU CORPORATION (JP) 2011-03-02 EP disclosed
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ZHAO CHEN 2008-05-15 US disclosed
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ZHAO CHEN 2008-05-15 US disclosed
US-7345034-B2 Azacyclosteroid histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-03-18 US disclosed
US-7345034-B2 Azacyclosteroid histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-03-18 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
EP-0481522-B1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMA INC (US) 1997-12-29 EP disclosed
EP-0729456-B1 NOVEL PROCESS FOR PREPARING (S)-1-[2(S)-(1,3-DIHYDRO-1,3-DIOXO-ISOINDOL-2-YL)-1-OXO-3-PHENYLPROPYL]-1,2,3,4-TETRAHYDRO-2-PYRIDINE-CARBOXYLIC ACID METHYL ESTER AND INTERMEDIATES THEREOF MERRELL PHARMA INC (US) 1997-12-17 EP disclosed
EP-0729456-A1 NOVEL PROCESS FOR PREPARING (S)-1-[2(S)-(1,3-DIHYDRO-1,3-DIOXO-ISOINDOL-2-YL)-1-OXO-3-PHENYLPROPYL]-1,2,3,4-TETRAHYDRO-2-PYRIDINE-CARBOXYLIC ACID METHYL ESTER AND INTERMEDIATES THEREOF MERRELL PHARMACEUTICALS INC. (US) 1996-09-04 EP disclosed
US-5527795-A Mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1996-06-18 US disclosed
US-5508411-A Process for preparing (S)-1-[2(S)-(1,3-dihyrdro-1,3-dioxo-isoindo-2-yl)-1-oxo-3-phenylpropyl]-1,2,3,4,-tetrahydro-2-pyridine-carboxylic acid methyl ester MERRELL PHARMACEUTICALS INC. 1996-04-16 US disclosed
US-5502253-A Cyclohex-2-enyl acetamides MERRELL PHARMACEUTICALS INC. 1996-03-26 US disclosed
US-5491143-A Mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ACE MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5430145-A Analgesics, reduction of drug withdrawal symptoms, hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-04 US disclosed
WO-1995014663-A2 NOVEL PROCESS FOR PREPARING (S)-1-[2(S)-(1,3-DIHYDRO-1,3-DIOXO-ISOINDO-2-YL)-1-OXO-3-PHENYLPROPYL]-1,2,3,4-TETRAHYDRO-2-PYRIDINE-CARBOXYLIC ACID METHYL ESTER AND INTERMEDIATES THEREOF MERRELL PHARMACEUTICALS INC. (US) 1995-06-01 WO disclosed
EP-0481522-A1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1992-04-22 EP 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 (3 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-20080058516-A1 Stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents CMA1, REN, TPSAB1 SRR 116/4885ACE 7/4885PPARG 3888/4885
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS HRH4, HRH3, HRH2 SRR 1971/4885ACE 1407/4885PPARG 1241/4885

“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.