SCHEMBL2197157

SCHEMBL2197157

CC(C)[C@@H](COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
SCN9A Q15858 2/20 0.37
KCNH2 Q12809 6/20 0.34
HRH2 P25021 3/20 0.33
HRH1 P35367 3/20 0.33
NR1I2 O75469 6/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CYP3A4 P08684 2/20 0.32
SCN5A Q14524 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2202630 0.88 PRKCA (0.44) PRKCAMMP12SCN9AKCNH2HRH2
SCHEMBL772642 0.87 PRKCA (0.44) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL772377 0.86 PRKCA (0.44) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL773978 0.81 PRKCA (0.50) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL772667 0.81 PRKCA (0.46) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL772541 0.81 PRKCA (0.43) PRKCAMMP12SCN9A
SCHEMBL772435 0.80 PRKCA (0.47) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL772000 0.80 PRKCA (0.51) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL804487 0.79 PRKCA (0.47) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL772864 0.79 PRMT5 (0.46) PRKCAMMP12SCN9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 (1 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885SCN9A 3087/4885

“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.