SCHEMBL3345797

SCHEMBL3345797

COCc1cnc2c(c1)C(=O)OC2=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL7547799 0.81 NPC1 (0.37) LMNACYP11B1CYP11B2
SCHEMBL10676056 0.79 CNR1 (0.33) TP53
SCHEMBL2514710 0.78 ALOX15 (0.31) CYP11B1CYP11B2
SCHEMBL2333074 0.78 ALOX15 (0.31) CYP11B1CYP11B2
SCHEMBL13993888 0.75 PDK2 (0.40) TP53
SCHEMBL14065330 0.74 CALM1 (0.39) LMNACYP11B1CYP11B2
SCHEMBL7483869 0.74 CYP11B2 (0.34) GRM5PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9215304 0.74 GABRA1 (0.35)
SCHEMBL25698684 0.73 LMNA (0.44) GRM5LMNATP53
SCHEMBL30718118 0.72 KMT2A (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010055042-A1 2-[(1-CYANOPROPYL)CARBAMOYL]-5-METHOXYMETHYL NICOTINIC ACIDS AND THE USE THEREOF IN MANUFACTURING HERBICIDAL IMIDAZOLINONES BASF SE (DE) 2010-05-20 WO claimed
EP-4001266-A2 PROCESS FOR PREPARING METHOXY METHYL PYRIDINE DICARBOXYLATE Adama Agan Ltd. (IL) 2022-05-25 EP disclosed
EP-3782985-A1 PROCESS FOR MANUFACTURING 5-METHOXYMETHYLPYRIDINE-2,3-DICARBOXYLIC ACID DERIVATIVES BASF Agrochemical Products B.V. (NL) 2021-02-24 EP disclosed
US-10858320-B2 Process for manufacturing substituted 5-methoxymethylpyridine-2,3-dicarboxylic acid derivatives BASF AGROCHEMICAL PRODUCTS B.V. (NL) 2020-12-08 US disclosed
US-10669254-B2 Process for preparing methoxy methyl pyridine dicarboxylate ADAMA AGAN LTD. (IL) 2020-06-02 US disclosed
US-20190276427-A1 PROCESS FOR PREPARING METHOXY METHYL PYRIDINE DICARBOXYLATE ADAMA AGAN LTD. (IL) 2019-09-12 US disclosed
EP-2365965-B1 PROCESS FOR MANUFACTURING SUBSTITUTED 3-PYRIDYLMETHYL AMMONIUM BROMIDES BASF SE (DE) 2019-01-09 EP disclosed
WO-2018091964-A1 PROCESS FOR PREPARING METHOXY METHYL PYRIDINE DICARBOXYLATE ADAMA AGAN LTD. (IL) 2018-05-24 WO disclosed
EP-2982673-B1 PROCESS FOR MANUFACTURING 5-CHLOROMETHYL-2,3-DICARBOXYLIC ANHYDRIDE BASF SE (DE) 2018-02-21 EP disclosed
US-20170226060-A1 Process for Manufacturing Substituted 5-Methoxymethylpyridine-2,3-Dicarboxylic Acid Derivatives BASF AGROCHEMICAL PRODUCTS B.V. (PR) 2017-08-10 US disclosed
EP-2373623-B1 PROCESS FOR MANUFACTURING SUBSTITUTED 5-METHOXYMETHYLPYRIDINE-2,3-DICARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2017-03-29 EP disclosed
WO-2010055042-A1 2-[(1-CYANOPROPYL)CARBAMOYL]-5-METHOXYMETHYL NICOTINIC ACIDS AND THE USE THEREOF IN MANUFACTURING HERBICIDAL IMIDAZOLINONES BASF SE (DE) 2010-05-20 WO disclosed
WO-2010055042-A1 2-[(1-CYANOPROPYL)CARBAMOYL]-5-METHOXYMETHYL NICOTINIC ACIDS AND THE USE THEREOF IN MANUFACTURING HERBICIDAL IMIDAZOLINONES BASF SE (DE) 2010-05-20 WO disclosed
US-6441190-B1 REACTING PYRIDINEDICARBOXYLIC ACID ANHYDRIDE OR PHTHALIC ANHYDRIDE COMPOUND WITH (R)2- AMINO-2,3-DIMETHYLBUTYRONITRILE IN PRESENCE OF WATER-FREE SOLVENT, HYDROLYSIS, TREATING WITH BASE; SEPARATION TO OBTAIN IMIDAZOLINONE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-20020077253-A1 PROCESS FOR THE PREPARATION OF CHIRAL NICOTINIC, QUINOLINIC OR BENZOIC ACID IMIDAZOLINONE HERBICIDES INTELLECTUAL PROPERTY DEPARTMENT (DE) 2002-06-20 US disclosed
US-6339158-B1 REACTING PYRIDINE OR QUINOLINE-2,3-DICARBOXYLIC ACID ANHYDRIDE DERIVATIVE WITH 2-AMINO-2,3-DIMETHYLBUTYRONITRILE IN PRESENCE OF NON-POLAR, WATER-FREE SOLVENT, TERTIARY AMINE, HYDROLYSIS, REACTING WITH BASE, SEPARATION, ACIDIFICATION AMERICAN CYANAMID CO. 2002-01-15 US 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-20170226060-A1 Process for Manufacturing Substituted 5-Methoxymethylpyridine-2,3-Dicarboxylic Acid Derivatives DDT, DDC, CYP4X1 GRM5 392/4885LMNA 3233/4885TP53 3880/4885
US-10669254-B2 Process for preparing methoxy methyl pyridine dicarboxylate MCCC2, C5, KDM4C GRM5 1886/4885LMNA 1550/4885TP53 1905/4885
US-20020077253-A1 PROCESS FOR THE PREPARATION OF CHIRAL NICOTINIC, QUINOLINIC OR BENZOIC ACID IMIDAZOLINONE HERBICIDES DDT, NQO2, NAPRT GRM5 579/4885LMNA 2341/4885TP53 4097/4885
US-10858320-B2 Process for manufacturing substituted 5-methoxymethylpyridine-2,3-dicarboxylic acid derivatives DDT, DDC, CYP4X1 GRM5 392/4885LMNA 3233/4885TP53 3880/4885
US-20190276427-A1 PROCESS FOR PREPARING METHOXY METHYL PYRIDINE DICARBOXYLATE MCCC2, C5, KDM4C GRM5 1886/4885LMNA 1550/4885TP53 1905/4885

“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.