SCHEMBL1479429

SCHEMBL1479429

Cc1cc(C(=O)O)ccc1N1CCCS1(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
HSD17B10 Q99714 2/20 0.51
MYC P01106 2/20 0.51
ESR1 P03372 1/20 0.51
ALOX15 P16050 1/20 0.51
PTPN7 P35236 1/20 0.51
TP53 P04637 3/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PIK3C3 Q8NEB9 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTR7 P34969 3/20 0.39

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
SCHEMBL2333365 0.94 POLB (0.58) POLBHSD17B10MYCESR1ALOX15
SCHEMBL1479646 0.86 KDM4E (0.48) HSD17B10ALOX15TP53SMN1; SMN2PIK3C3
SCHEMBL27691242 0.83 POLB (0.51) POLBHSD17B10MYCESR1ALOX15
SCHEMBL14687389 0.83 POLB (0.53) POLBHSD17B10ALOX15TP53GAA
SCHEMBL15668291 0.83 POLB (0.53) POLBHSD17B10TP53GAAKDM4E
SCHEMBL14687173 0.82 POLB (0.50) POLBTP53SMN1; SMN2PIK3C3HTR7
SCHEMBL14687260 0.81 POLB (0.52) POLBHSD17B10MYCSMN1; SMN2KDM4E
SCHEMBL1480148 0.81 RAB9A (0.52) POLBGAASMN1; SMN2PIK3C3KDM4E
SCHEMBL2326239 0.81 HSD17B10 (0.49) POLBHSD17B10MYCESR1ALOX15
SCHEMBL2760314 0.80 MAPT (0.43) POLBTP53PIK3C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812412-B1 SUBSTITUTED BENZOYLGUANIDINES METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-23 EP claimed
US-20070270414-A1 SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-22 US claimed
EP-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 EP disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
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-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US 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-7772262-B2 Substituted benzoylguanidines, method for production and use thereof as medicament or diagnostic and medicament comprising the same SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 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-1812412-B1 SUBSTITUTED BENZOYLGUANIDINES METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-23 EP disclosed
CN-101103022-A New carboxylic acid amide used as XA inhititor BOEHRINGER INGELHEIM PHARMA (DE) 2008-01-09 CN disclosed
US-20070270414-A1 SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 POLB 3005/4885HSD17B10 762/4885MYC 4861/4885
US-20080146539-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC POLB 2264/4885HSD17B10 1944/4885MYC 4581/4885
US-20110077236-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC POLB 2264/4885HSD17B10 1944/4885MYC 4581/4885
US-20070270414-A1 SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME SLC9A1, SLC9B2, SLC9A2 POLB 4641/4885HSD17B10 2196/4885MYC 4295/4885
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS ASS1, GOT1, OAT POLB 1743/4885HSD17B10 2142/4885MYC 4610/4885
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 POLB 4360/4885HSD17B10 3973/4885MYC 4479/4885

“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.