SCHEMBL973251

SCHEMBL973251

Cn1c(C2CC2)c(C2CCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.42
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
KMO O15229 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
HCAR3 P49019 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
SCN5A Q14524 1/20 0.38
CYP3A4 P08684 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL15177795 0.87 SCN9A (0.38) SCN9APRKCAMMP12SCN5ACYP3A4
SCHEMBL12190727 0.86 SCN9A (0.45) SCN9AKDM4ESCN5ACYP3A4CYP2C19
SCHEMBL972306 0.85 L3MBTL1 (0.44) SCN9APRKCAMMP12KMOKDM4E
SCHEMBL27587068 0.85 SCN9A (0.43) SCN9APRKCAMMP12KMOKDM4E
SCHEMBL10063545 0.84 SCN9A (0.42) SCN9APRKCAMMP12KMOKDM4E
SCHEMBL899942 0.84 SCN9A (0.42) SCN9APRKCAMMP12KMOKDM4E
SCHEMBL5508333 0.83 SCN9A (0.42) SCN9APRKCAMMP12KMOKDM4E
SCHEMBL2276096 0.83 SCN9A (0.44) SCN9APRKCAMMP12KMOKDM4E
SCHEMBL971177 0.82 CCR3 (0.44) SCN9APRKCAMMP12KMOKDM4E
SCHEMBL972396 0.82 SCN9A (0.41) SCN9APRKCAMMP12KMOKDM4E

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 25 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
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-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 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-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
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 SCN9A 390/4885PRKCA 2153/4885MMP12 3491/4885
US-20050222236-A1 Viral polymerase inhibitors POLR2A, POLR1E, RPP30 SCN9A 390/4885PRKCA 2153/4885MMP12 3491/4885

“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.