SCHEMBL974149

SCHEMBL974149

C=CCc1c(C2CCCC2)c2ccc(C(=O)O)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
SCN9A Q15858 5/20 0.39
CYP3A4 P08684 7/20 0.36
CYP2C19 P33261 7/20 0.36
CCR3 P51677 3/20 0.36
KMO O15229 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL971177 0.86 CCR3 (0.44) PRKCAMMP12SCN9ACCR3KMO
SCHEMBL12051141 0.84 TEAD1 (0.43) PRKCAMMP12SCN9ACCR3KMO
SCHEMBL975006 0.82 SCN9A (0.43) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL972306 0.79 L3MBTL1 (0.44) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL27587068 0.79 SCN9A (0.43) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL12596866 0.79 SCN9A (0.43) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL10063545 0.78 SCN9A (0.42) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL973251 0.78 SCN9A (0.42) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL899942 0.78 SCN9A (0.42) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL12190721 0.78 SCN9A (0.41) PRKCAMMP12SCN9ACYP3A4CYP2C19

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 16 patents. 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-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-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
CN-101648944-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT DE 2010-02-17 CN 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
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 (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-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 PRKCA 2153/4885MMP12 3491/4885SCN9A 390/4885
US-20050222236-A1 Viral polymerase inhibitors POLR2A, POLR1E, RPP30 PRKCA 2153/4885MMP12 3491/4885SCN9A 390/4885
US-20110015203-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 PRKCA 2153/4885MMP12 3491/4885SCN9A 390/4885

“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.