SCHEMBL2326239

SCHEMBL2326239

Cc1cc(C(=O)O)ccc1N1CCCN(C)S1(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
MYC P01106 2/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
PTPN7 P35236 1/20 0.49
PIK3C3 Q8NEB9 4/20 0.43
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR7 P34969 3/20 0.37
NR4A1 P22736 1/20 0.36

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
SCHEMBL1479429 0.81 POLB (0.53) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL2333365 0.78 POLB (0.58) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL1479441 0.75 GAA (0.51) HSD17B10MYCESR1ALOX15PTPN7
Hydrochloric Acid SCHEMBL1479491 0.74 GAA (0.50) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL12752917 0.74 HSD17B10 (0.57) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL29113608 0.73 GAA (0.64) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL30683883 0.73 GAA (0.64) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL581026 0.72 GAA (0.67) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL7934713 0.69 GAA (0.58) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL27195844 0.68 HSD17B10 (0.49) HSD17B10MYCESR1ALOX15PTPN7

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 7 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-B1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP 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
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 (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-20080146539-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC HSD17B10 1944/4885MYC 4581/4885ESR1 1475/4885
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS ASS1, GOT1, OAT HSD17B10 2142/4885MYC 4610/4885ESR1 1355/4885
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 HSD17B10 3973/4885MYC 4479/4885ESR1 1035/4885

“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.