SCHEMBL2072953

SCHEMBL2072953

[CH2]c1ccc(C(=O)OC)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 1/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
HPGD P15428 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
OPRD1 P41143 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38

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
SCHEMBL70027 0.84 NPSR1 (0.67) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL1303016 0.78 NPSR1 (0.60) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL1235256 0.78 LMNA (0.60) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL129127 0.78
SCHEMBL6924397 0.78 NPSR1 (0.55) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL18023552 0.78 NPSR1 (0.55) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL425794 0.77 DAO (0.65) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL10671029 0.77 NPSR1 (0.58) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL277203 0.77 LMNA (0.58) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL4480592 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761517-B1 NOVEL IMIDAZOLES AND TRIAZOLES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-09-24 EP disclosed
EP-1797093-B1 NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2012-05-30 EP disclosed
US-7906539-B2 e.g. 1-(but-2-ynyl)-2-(3-amino-piperidin-1-yl)-5-(naphth-1-ylmethylaminocarbonyl)-1H-imidazole; dipeptidylpeptidase-IV inhibitor; antidiabetic, anticarcinogenic, antiinflammatory agent; autoimmune, neurodegenerative diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-15 US disclosed
US-20090088569-A1 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS ECKHARDT MATTHIAS 2009-04-02 US disclosed
US-7495003-B2 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 US disclosed
US-7495002-B2 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 US disclosed
US-7476671-B2 2-amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-7470716-B2 Imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-30 US disclosed
US-20080312243-A1 IMIDAZOLES AND TRIAZOLES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS ECKHARDT MATTHIAS 2008-12-18 US disclosed
US-7432262-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-07 US disclosed
WO-2006029769-A1 NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-23 WO disclosed
US-20060058323-A1 New 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-16 US disclosed
WO-2006027204-A1 8-(3-AMINO-PIPERIDIN-1-YL)-7-(BUT-2-INYL)-XANTHINES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-16 WO disclosed
US-20060004074-A1 New imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 US disclosed
WO-2006000354-A1 NOVEL IMIDAZOLES AND TRIAZOLES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 WO disclosed
US-20050234235-A1 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
WO-2005097798-A1 NOVEL 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES AND 2-AMINO-IMIDAZO[4,5-C]PYRIDIN-4-ONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 WO disclosed
WO-2005087774-A1 IMIDAZOPYRIDAZINE DIONES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US disclosed
CN-1142909-C Indole derivatives with antiviral activity ��Ұ����ҩ��ʽ���� 2004-03-24 CN 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-20050234235-A1 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP8 NPSR1 1451/4885LMNA 2913/4885PPARG 2075/4885
US-20090088569-A1 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 NPSR1 1608/4885LMNA 3292/4885PPARG 2090/4885
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP7 NPSR1 1519/4885LMNA 4335/4885PPARG 2492/4885
US-20060058323-A1 New 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP7 NPSR1 779/4885LMNA 3159/4885PPARG 2480/4885
US-20060004074-A1 New imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions DPP4, DPP3, DPP7 NPSR1 745/4885LMNA 4654/4885PPARG 2689/4885
US-20080312243-A1 IMIDAZOLES AND TRIAZOLES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 NPSR1 829/4885LMNA 4618/4885PPARG 2907/4885

“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.