SCHEMBL791480

SCHEMBL791480

Cn1c(-c2cnco2)c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.46
PRKCA P17252 1/20 0.45
MMP12 P39900 1/20 0.45
CYP3A4 P08684 13/20 0.42
CYP2C19 P33261 13/20 0.42
CYP2C9 P11712 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL12894489 0.89 SCN9A (0.50) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL2902525 0.83 PRKCA (0.44) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL4431910 0.78 CYP3A4 (0.58) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL5517804 0.78 HTR2A (0.52) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL903153 0.78 SCN9A (0.48) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL904335 0.78 SCN9A (0.48) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL2998597 0.78 AAK1 (0.33) SCN9A
SCHEMBL6388916 0.77 SCN9A (0.72) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL14452260 0.77 CYP3A4 (0.59) SCN9APRKCAMMP12CYP3A4CYP2C19
SCHEMBL1261240 0.76 CYP3A4 (0.62) 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-20060293306-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE L 2006-12-28 US disclosed
US-7141574-B2 Series of fused heterocycle compounds having improved inhibitory activity against HCV polymerase; hepatitis treatment BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-11-28 US disclosed
US-20060160798-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-07-20 US 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

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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI SCN9A 3095/4885PRKCA 2801/4885MMP12 1817/4885
US-20030176433-A1 Viral polymerase inhibitors NR4A1, RCOR1, RER1 SCN9A 1198/4885PRKCA 3908/4885MMP12 3790/4885
US-20060293306-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, POLR2A SCN9A 2500/4885PRKCA 4313/4885MMP12 2226/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SCN9A 3087/4885PRKCA 2404/4885MMP12 1013/4885
US-20060160798-A1 Viral polymerase inhibitors NR4A1, NR1I3, RER1 SCN9A 1507/4885PRKCA 3480/4885MMP12 3559/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 SCN9A 655/4885PRKCA 3690/4885MMP12 3511/4885

“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.