SCHEMBL1059563

SCHEMBL1059563

NC(=O)CC(CO)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 1/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 1/20 0.54
GABBR2 O75899 2/20 0.53
GABBR1 Q9UBS5 2/20 0.53
CYP2C19 P33261 3/20 0.50
SLC6A3 Q01959 3/20 0.46
DRD3 P35462 2/20 0.46
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
EDNRB P24530 1/20 0.46
MAPK1 P28482 1/20 0.46
MC4R P32245 1/20 0.46
MC3R P41968 1/20 0.46
DRD2 P14416 1/20 0.46
EPHX1 P07099 1/20 0.43
BCAT2 O15382 1/20 0.42

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
SCHEMBL8187229 1.00 CYP2D6 (0.56) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL8192677 1.00 CYP2D6 (0.56) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Acetic Acid SCHEMBL8188055 0.94 ALDH1A1 (0.54) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Acetic Acid SCHEMBL8178315 0.94 ALDH1A1 (0.54) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Acetic Acid SCHEMBL8177844 0.94 ALDH1A1 (0.54) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Sulfamate SCHEMBL8188608 0.91 CYP1A2 (0.49) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Sulfamate SCHEMBL8177851 0.91 CYP1A2 (0.49) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Sulfamate SCHEMBL8187381 0.91 CYP1A2 (0.49) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL9105247 0.90 ALDH1A1 (0.63) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Carbamic Acid SCHEMBL7292389 0.85 CYP2D6 (0.57) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035442-B1 NEW SUPPORTED OXIDATION REACTANTS, PROCESS FOR THEIR PREPARATION AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2011-10-12 EP claimed
US-20110003943-A1 Supported Oxidation Reactants, Process for their Preparation and Uses Thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2011-01-06 US claimed
JP-5032696-A None JP disclosed
EP-2321277-B1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT CENTRE NAT RECH SCIENT (FR) 2015-10-07 EP disclosed
US-8546533-B2 Pipecolic linker and its use for chemistry on solid support CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-10-01 US disclosed
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN disclosed
EP-2035442-B1 NEW SUPPORTED OXIDATION REACTANTS, PROCESS FOR THEIR PREPARATION AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2011-10-12 EP disclosed
US-20110152464-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT UNIVERSITE DE MONTPELLIER I (FR) 2011-06-23 US disclosed
EP-2321277-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT Centre National de la Recherche Scientifique - CNRS (FR) 2011-05-18 EP disclosed
US-20110003943-A1 Supported Oxidation Reactants, Process for their Preparation and Uses Thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2011-01-06 US disclosed
WO-2010023295-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-03-04 WO disclosed
EP-2035442-A1 NEW SUPPORTED OXIDATION REACTANTS, PROCESS FOR THEIR PREPARATION AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-03-18 EP disclosed
WO-2007144411-A1 NEW SUPPORTED OXIDATION REACTANTS, PROCESS FOR THEIR PREPARATION AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-12-21 WO disclosed
EP-0801642-B1 NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME YUKONG LTD (KR) 2000-12-20 EP disclosed
US-5892088-A Sulfamate compound containing N-substituted carbamoyl group and method for preparing the same YUKONG LIMITED (KR) 1999-04-06 US disclosed
EP-0801642-A1 NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1997-10-22 EP disclosed
WO-1997016418-A1 NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1997-05-09 WO disclosed
JP-H0532696-A PARATHYROID HORMONE DERIVATIVE TAKEDA CHEM IND LTD 1993-02-09 JP disclosed
JP-H00532696-A 0001-01-01 JP 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 (2 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-20110003943-A1 Supported Oxidation Reactants, Process for their Preparation and Uses Thereof DAO, MTR, MET CYP2D6 1265/4885CYP1A2 1131/4885PKM 934/4885
US-20110152464-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT PRRC2C, VIP, PRRC2A CYP2D6 4257/4885CYP1A2 4401/4885PKM 4421/4885

“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.