SCHEMBL1479878

SCHEMBL1479878

Cc1cc(C(=O)O)ccc1N1CCCCOC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
MYC P01106 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
PTPN7 P35236 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 4/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR7 P34969 4/20 0.40
DUSP22 Q9NRW4 1/20 0.40
TSHR P16473 1/20 0.40
NR4A1 P22736 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 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
SCHEMBL1479173 0.87 KDM4E (0.50) HSD17B10ALOX15SMN1; SMN2GAAKDM4E
SCHEMBL4475157 0.82 ALDH1A1 (0.54) HSD17B10ALOX15SMN1; SMN2GAAKDM4E
SCHEMBL4825042 0.81 GAA (0.56) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL7934713 0.80 GAA (0.58) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL1479266 0.80 CYP2C9 (0.55) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL8306548 0.79 ALDH1A1 (0.43) HSD17B10ALOX15KDM4EPOLBL3MBTL1
SCHEMBL76885 0.77 ALDH1A1 (0.51) HSD17B10ALOX15SMN1; SMN2GAAKDM4E
SCHEMBL4459556 0.76 L3MBTL1 (0.46) SMN1; SMN2GAAPOLBTDP1L3MBTL1
SCHEMBL30683883 0.76 GAA (0.64) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL29113608 0.76 GAA (0.64) 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 8 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
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-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 (4 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-20110077236-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.