SCHEMBL3869074

SCHEMBL3869074

NC(CC(=O)O)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.56
CYP2C19 P33261 3/20 0.53
KMT2A Q03164 4/20 0.50
PKM P14618 3/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PTPN1 P18031 1/20 0.50
PTPN7 P35236 1/20 0.50
BLM P54132 1/20 0.50
ESR2 Q92731 1/20 0.50
HSD17B10 Q99714 1/20 0.43
HPGD P15428 3/20 0.43
GLA P06280 1/20 0.43
RECQL P46063 1/20 0.43
ALOX5 P09917 2/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 3/20 0.42
AGTR1 P30556 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 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
SCHEMBL5720999 1.00 MIF (0.56) MIFCYP2C19KMT2APKMPOLB
SCHEMBL12463285 1.00 MIF (0.56) MIFCYP2C19KMT2APKMPOLB
SCHEMBL4373785 0.79 CYP2C19 (0.44) MIFCYP2C19KMT2APKMPOLB
SCHEMBL3814849 0.78 KMT2A (0.62) MIFCYP2C19KMT2APKMPOLB
SCHEMBL4453575 0.78 KMT2A (0.62) MIFCYP2C19KMT2APKMPOLB
SCHEMBL27465320 0.77 MIF (0.56) MIFCYP2C19KMT2APKMPOLB
SCHEMBL1207891 0.77 MIF (0.56) MIFCYP2C19KMT2APKMPOLB
SCHEMBL11392151 0.77 MIF (0.56) MIFCYP2C19KMT2APKMPOLB
SCHEMBL11854703 0.77 MIF (0.56) MIFCYP2C19KMT2APKMPOLB
SCHEMBL6778631 0.76 ALDH1A1 (0.44) CYP2C19KMT2APKMPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620910-B1 Of given amino acid sequence; receptor agonists; increased metabolic stability; longer duration of action; use in treatment of non-insulin-dependent type II diabetes, obesity, and type I diabetes LES LABORATOIRES SERVIER (FR) 2003-09-16 US claimed
CN-1232038-A New peptide compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-10-20 CN claimed
EP-2978772-A1 BETA-HAIRPIN PEPTIDOMIMETICS Polyphor AG (CH) 2016-02-03 EP disclosed
EP-2978771-A1 BETA-HAIRPIN PEPTIDOMIMETICS Polyphor Ag (CH) 2016-02-03 EP disclosed
WO-2014161781-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2014-10-09 WO disclosed
WO-2014161782-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2014-10-09 WO disclosed
EP-2100875-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives Takasago International Corporation (JP) 2009-09-16 EP disclosed
US-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use TRANSTECH PHARMA, INC. 2009-05-14 US disclosed
EP-1888566-A1 2-[(ISOQUINOLIN-3-CARBONYL)AMINO]-PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS Transtech Pharma, Inc. (US) 2008-02-20 EP disclosed
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use MJALLI ADNAN M 2007-11-01 US disclosed
US-7262269-B2 Method for screening combinational bead library; ligands for cancer cells THE REGENTS OF UNIVERSITY OF CALIFORNIA (US) 2007-08-28 US disclosed
EP-1646718-A2 METHODS FOR THE STEREOSELECTIVE SYNTHESIS AND ENANTIOMERIC ENRICHMENT OF B-AMINO ACIDS Pharmacia Corporation (US) 2006-04-19 EP disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 EP disclosed
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TRANSTECH PHARMA, LLC 2005-08-04 US disclosed
WO-2005045430-A1 SCREENING COMBINATORIAL BEAD LIBRARIES FOR CANCER LIGANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-19 WO disclosed
WO-2005005633-A2 METHODS FOR THE STEREOSELECTIVE SYNTHESIS AND ENANTIOMERIC ENRICHMENT OF B-AMINO ACIDS PHARMACIA CORPORATION (US) 2005-01-20 WO disclosed
US-20050009151-A1 Methods for the stereospecific and enantiomeric enrichment of beta-amino acids PHARMACIA CORPORATION 2005-01-13 US disclosed
US-20040096906-A1 Method for screening combinatorial bead library; ligands for cancer cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-20 US disclosed
US-6620910-B1 Of given amino acid sequence; receptor agonists; increased metabolic stability; longer duration of action; use in treatment of non-insulin-dependent type II diabetes, obesity, and type I diabetes LES LABORATOIRES SERVIER (FR) 2003-09-16 US disclosed
CN-1232038-A New peptide compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-10-20 CN 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 (4 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-20040096906-A1 Method for screening combinatorial bead library; ligands for cancer cells EPCAM, MKI67, FGFR3 MIF 252/4885CYP2C19 4805/4885KMT2A 2986/4885
US-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use F3, F12, CFH MIF 3828/4885CYP2C19 103/4885KMT2A 1874/4885
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F9, F3 MIF 3870/4885CYP2C19 35/4885KMT2A 1257/4885
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TFPI, F3, F2 MIF 3631/4885CYP2C19 46/4885KMT2A 1437/4885

“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.