SCHEMBL973441

SCHEMBL973441

CNc1cc(C(=O)OC)c(C)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 6/20 0.49
MAPT P10636 4/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 3/20 0.49
ATM Q13315 2/20 0.49
GLA P06280 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
POLB P06746 2/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PRKCI P41743 1/20 0.45
CFTR P13569 3/20 0.44
ABL1 P00519 1/20 0.44
MAPK1 P28482 1/20 0.41
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 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
SCHEMBL31215265 0.93 KDM4E (0.49) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL973355 0.93 KDM4E (0.49) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL12190715 0.86 KDM4E (0.58) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL1720999 0.83 KDM4E (0.56) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL15322951 0.82 KDM4E (0.50) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL274700 0.82 KDM4E (0.55) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL24501481 0.81 KDM4E (0.46) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL972983 0.81 GAA (0.64) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL30640213 0.81 KDM4E (0.46) KDM4EALDH1A1GAAMAPTHSD17B10
Hydrochloric Acid SCHEMBL5417457 0.80 KDM4E (0.53) KDM4EALDH1A1GAAMAPTHSD17B10

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
CN-103333162-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-10-02 CN disclosed
CN-103319464-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-09-25 CN disclosed
CN-103304541-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-09-18 CN disclosed
EP-2626354-A1 Viral polymerase inhibitors Boehringer Ingelheim International GmbH (DE) 2013-08-14 EP disclosed
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
CN-102911161-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-02-06 CN disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
CN-1922174-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-02-28 CN disclosed
EP-1718608-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2006-11-08 EP disclosed
US-20050222236-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 US disclosed
WO-2005080388-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-01 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 (2 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-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 KDM4E 2636/4885ALDH1A1 1822/4885GAA 1620/4885
US-20050222236-A1 Viral polymerase inhibitors POLR2A, POLR1E, RPP30 KDM4E 2636/4885ALDH1A1 1822/4885GAA 1620/4885

“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.