SCHEMBL4421756

SCHEMBL4421756

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
CPA1 P15085 5/20 0.46
CPA3 P15088 3/20 0.46
FOLH1 Q04609 1/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
SRR Q9GZT4 2/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MDM2 Q00987 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL3496986 1.00 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL2808578 1.00 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL27832950 0.98 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
Water SCHEMBL27350729 0.98 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL27749682 0.89 ALPI (0.44) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL27556801 0.88 CYP1A2 (0.41) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4727822 0.86 SLC7A5 (0.51) CYP1A2SLC7A5FOLH1
SCHEMBL12483915 0.86 SLC7A5 (0.51) CYP1A2SLC7A5FOLH1
SCHEMBL14338205 0.86 ALPI (0.46) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL30011914 0.86 EPHX1 (0.50) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024182-B1 THERMO-STABLE MICRO-ORGANISM AND PROTEOLYTIC ENZYME PREPARED THEREFROM, AND PROCESSES FOR THE PREPARATION OF THE MICRO-ORGANISM AND THE PROTEOLYTIC ENZYME DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1986-05-07 EP claimed
CN-115232130-B APN and AKT double-target inhibitor and preparation method and application thereof 山东大学 2024-01-12 CN disclosed
CN-115232130-A APN and AKT double-target-point inhibitor and preparation method and application thereof 山东大学 2022-10-25 CN disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 CN disclosed
US-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 CN disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 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 (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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK CYP1A2 3742/4885ALPI 4372/4885PKM 804/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 CYP1A2 3600/4885ALPI 4493/4885PKM 1411/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 CYP1A2 836/4885ALPI 752/4885PKM 1517/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 CYP1A2 820/4885ALPI 822/4885PKM 1465/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK CYP1A2 3198/4885ALPI 4254/4885PKM 1258/4885

“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.