SCHEMBL772111

SCHEMBL772111

CC(C)(C)OC(=O)N1CCCC(Oc2ccc3c(c2)OCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
CHEK2 O96017 1/20 0.41
SCN9A Q15858 2/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
USP30 Q70CQ3 4/20 0.36
PDE4B Q07343 1/20 0.36
NR1I2 O75469 1/20 0.34
S1PR3 Q99500 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PIK3CA P42336 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
HPGDS O60760 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL771765 0.96 PRKCA (0.46) PRKCAMMP12CHEK2SCN9APRMT5
SCHEMBL13286226 0.94 PRKCA (0.43) PRKCAMMP12CHEK2SCN9APRMT5
SCHEMBL772739 0.93 CHEK2 (0.40) PRKCAMMP12CHEK2SCN9APRMT5
SCHEMBL771540 0.92 PRKCA (0.46) PRKCAMMP12SCN9APRMT5WDR77
SCHEMBL772864 0.92 PRMT5 (0.46) PRKCAMMP12CHEK2SCN9APRMT5
SCHEMBL792656 0.91 PRMT5 (0.39) PRKCAMMP12CHEK2SCN9APRMT5
SCHEMBL772448 0.88 PRKCA (0.48) PRKCAMMP12SCN9APRMT5WDR77
SCHEMBL772620 0.85 PRKCA (0.46) PRKCAMMP12SCN9APRMT5WDR77
SCHEMBL772541 0.82 PRKCA (0.43) PRKCAMMP12CHEK2SCN9APRMT5
SCHEMBL772000 0.81 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2

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 10 patents. 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-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
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
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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885CHEK2 4428/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885CHEK2 4428/4885

“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.