SCHEMBL580260

SCHEMBL580260

CCOC(=O)CO/N=C(\C(=O)O)c1cc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 3/20 0.35
F2 P00734 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NLRP3 Q96P20 2/20 0.35
HSD17B10 Q99714 3/20 0.34
GAA P10253 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 3/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL1479525 1.00 MAPK8 (0.40) MAPK8MAPK9MAPK10LMNAALDH1A1
SCHEMBL11006635 0.84 MAPK8 (0.37) MAPK8MAPK9MAPK10LMNAALDH1A1
SCHEMBL11018139 0.83 LMNA (0.31) LMNASMN1; SMN2MAPTKMT2AGAA
SCHEMBL11002131 0.83 LMNA (0.31) LMNASMN1; SMN2MAPTKMT2AGAA
SCHEMBL21074062 0.76 PKM (0.44) MAPK8MAPK9MAPK10LMNAALDH1A1
SCHEMBL10463712 0.76 LMNA (0.43) LMNAMAPTGAA
SCHEMBL10463713 0.76 LMNA (0.43) LMNAMAPTGAA
SCHEMBL11010824 0.75 MAPT (0.59) MAPK8MAPK9MAPK10LMNAALDH1A1
SCHEMBL10418041 0.75 MAPT (0.59) MAPK8MAPK9MAPK10LMNAALDH1A1
SCHEMBL10418039 0.75 MAPT (0.59) MAPK8MAPK9MAPK10LMNAALDH1A1

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-8791103-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-8445525-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-21 US disclosed
EP-1771441-B8 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed
EP-1771441-B1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
US-7947700-B2 Factor Xa or related serine protease inhibitors; such as 3-chloro-N-[1-(5-chloro-1H-benzimidazol-2-yl)-ethyl]-4-(1,4-diazepan-1-yl)benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-24 US disclosed
US-20110077236-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-31 US disclosed
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-20080146539-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 US disclosed
US-7371743-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
EP-1771441-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-04-11 EP disclosed
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050203078-A1 Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US disclosed
WO-2005082895-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-09 WO disclosed
US-6106599-A Inks XEROX CORPORATION (US) 2000-08-22 US disclosed
US-5585485-A Cephalosporin intermediate products BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1996-12-17 US disclosed
US-5484928-A 2-(2-aminothiazol-4-yl)-2-oxoacetic acid derivatives BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1996-01-16 US disclosed
WO-1985004659-A1 INTERMEDIARY PRODUCTS OF CEPHALOSPORINE, PREPARATION PROCESS THEREOF AND UTILIZATION THEREOF BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1985-10-24 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-20080146539-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC MAPK8 3179/4885MAPK9 3892/4885MAPK10 3378/4885
US-20110077236-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC MAPK8 3179/4885MAPK9 3892/4885MAPK10 3378/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC MAPK8 3481/4885MAPK9 4334/4885MAPK10 3488/4885
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS ASS1, GOT1, OAT MAPK8 3137/4885MAPK9 3734/4885MAPK10 3420/4885
US-20050203078-A1 Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide F12, TFPI, F11 MAPK8 1730/4885MAPK9 2249/4885MAPK10 3712/4885

“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.