SCHEMBL975006

SCHEMBL975006

C=Cc1c(C2CCCC2)c2ccc(C(=O)O)cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.43
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
CYP3A4 P08684 8/20 0.38
CYP2C19 P33261 8/20 0.38
SCN5A Q14524 1/20 0.38
KMO O15229 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 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
SCHEMBL12596866 0.89 SCN9A (0.43) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL12190719 0.87 SCN9A (0.47) SCN9ACYP3A4CYP2C19SCN5AKDM4E
SCHEMBL12596996 0.86 SCN9A (0.49) SCN9ACYP3A4CYP2C19SCN5AKDM4E
SCHEMBL27587068 0.85 SCN9A (0.43) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL974149 0.82 PRKCA (0.40) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL972306 0.82 L3MBTL1 (0.44) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL973251 0.81 SCN9A (0.42) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL10063545 0.81 SCN9A (0.42) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL899942 0.81 SCN9A (0.42) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL12190721 0.81 SCN9A (0.41) SCN9APRKCAMMP12CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626354-A1 Viral polymerase inhibitors Boehringer Ingelheim International GmbH (DE) 2013-08-14 EP 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-102424680-A Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD 2012-04-25 CN disclosed
CN-1558759-B Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD 2012-01-25 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
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 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
CN-1610546-A Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2005-04-27 CN disclosed
CN-1558759-A Viral polymerase inhibitors ���ָ����Ӣ��ķ���ô����޹�˾ 2004-12-29 CN disclosed
EP-1414441-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 EP disclosed
EP-1414797-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 EP disclosed
US-20040024190-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-02-05 US disclosed
US-20030176433-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-09-18 US disclosed
WO-2003010141-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 WO disclosed
WO-2003010140-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 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-20030176433-A1 Viral polymerase inhibitors NR4A1, RCOR1, RER1 SCN9A 1198/4885PRKCA 3908/4885MMP12 3790/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 SCN9A 655/4885PRKCA 3690/4885MMP12 3511/4885
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.