SCHEMBL3654751

SCHEMBL3654751

C=C(Cc1cc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
NLRP3 Q96P20 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
IDO1 P14902 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
DAO P14920 1/20 0.49
HPGD P15428 1/20 0.49
SRD5A2 P31213 1/20 0.49
HSD17B10 Q99714 1/20 0.49
FLT3 P36888 1/20 0.46
AKR1B1 P15121 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
ADAMTS4 O75173 1/20 0.43
GSK3B P49841 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 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
SCHEMBL1381253 0.86 LOXL2 (0.53) LOXL2NLRP3MTNR1AMTNR1BIDO1
SCHEMBL4660280 0.83 LOXL2 (0.53) LOXL2NLRP3MTNR1AMTNR1BIDO1
SCHEMBL29383990 0.83 LOXL2 (0.53) LOXL2NLRP3MTNR1AMTNR1BIDO1
SCHEMBL29365671 0.83 LOXL2 (0.56) LOXL2NLRP3MTNR1AMTNR1BIDO1
SCHEMBL49270 0.83 LOXL2 (0.56) LOXL2NLRP3MTNR1AMTNR1BIDO1
SCHEMBL31336079 0.83 LOXL2 (0.56) LOXL2NLRP3MTNR1AMTNR1BIDO1
SCHEMBL1383201 0.82 MTNR1A (0.51) LOXL2NLRP3MTNR1AMTNR1BIDO1
SCHEMBL3659732 0.82 MTNR1A (0.51) LOXL2NLRP3MTNR1AMTNR1BIDO1
SCHEMBL31511816 0.81 LOXL2 (0.55) LOXL2NLRP3MTNR1AMTNR1BIDO1
Water SCHEMBL30025993 0.81 LOXL2 (0.55) LOXL2NLRP3MTNR1AMTNR1BIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367847-B2 Production of monatin enantiomers CARGILL, INCORPORATED (US) 2013-02-05 US claimed
EP-2209767-A2 PRODUCTION OF MONATIN ENANTIOMERS Cargill, Incorporated (US) 2010-07-28 EP claimed
WO-2009044245-A2 PRODUCTION OF MONATIN ENANTIOMERS CARGILL, INCORPORATED (US) 2009-04-09 WO claimed
US-20090088577-A1 PRODUCTION OF MONATIN ENANTIOMERS CARGILL, INCORPORATED 2009-04-02 US claimed
US-8367847-B2 Production of monatin enantiomers CARGILL, INCORPORATED (US) 2013-02-05 US disclosed
EP-1060182-B1 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2012-12-19 EP disclosed
EP-2209767-A2 PRODUCTION OF MONATIN ENANTIOMERS Cargill, Incorporated (US) 2010-07-28 EP disclosed
WO-2009044245-A2 PRODUCTION OF MONATIN ENANTIOMERS CARGILL, INCORPORATED (US) 2009-04-09 WO disclosed
US-20090088577-A1 PRODUCTION OF MONATIN ENANTIOMERS CARGILL, INCORPORATED 2009-04-02 US disclosed
US-7351399-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2008-04-01 US disclosed
US-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds ERION MARK D 2005-12-29 US disclosed
US-6946115-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2005-09-20 US disclosed
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. 2002-05-02 US disclosed
US-6312662-B1 CONVERSION BY HUMAN LIVER MICROSOMES TO MPO3H2 METABASIS THERAPEUTICS, INC. 2001-11-06 US disclosed
US-6294672-B1 FOR THERAPY OF DIABETES, AND OTHER DISEASES WHERE THE INHIBITION OF GLUCONEOGENESIS, CONTROL OF BLOOD GLUCOSE LEVELS, REDUCTION IN GLYCOGEN STORES, OR REDUCTION IN INSULIN LEVELS IS BENEFICIAL METABASIS THERAPEUTICS, INC. 2001-09-25 US disclosed
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP disclosed
US-6054587-A ANTIDIABETIC AGENTS METABASIS THERAPEUTICS, INC. (US) 2000-04-25 US disclosed
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO disclosed
WO-1998039342-A1 NOVEL INDOLE AND AZAINDOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 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 (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-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds HCRTR2, CYP2R1, SLC22A8 LOXL2 258/4885NLRP3 4075/4885MTNR1A 1445/4885
US-20090088577-A1 PRODUCTION OF MONATIN ENANTIOMERS MON2, CIAPIN1, SI LOXL2 4376/4885NLRP3 477/4885MTNR1A 499/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK LOXL2 350/4885NLRP3 4200/4885MTNR1A 504/4885

“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.