SCHEMBL772597

SCHEMBL772597

COc1ccc(C[C@H](NC(=O)c2ccc3c(C4CCCCC4)c4n(c3c2)CCOc2ccccc2-4)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
MMP12 P39900 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
CA2 P00918 1/20 0.41
PTPN1 P18031 1/20 0.41
NR1I2 O75469 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 4/20 0.40
ITGB1 P05556 3/20 0.40
ITGA4 P13612 3/20 0.40
SCN9A Q15858 1/20 0.39
ALB P02768 1/20 0.39
IL2 P60568 1/20 0.39
ROCK2 O75116 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGB7 P26010 1/20 0.38

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
SCHEMBL773806 0.94 PRKCA (0.45) PRKCAMMP12SMN1; SMN2NR1I2CYP3A4
SCHEMBL772014 0.93 PRKCA (0.49) PRKCAMMP12SMN1; SMN2CA2PTPN1
SCHEMBL772404 0.91 PRKCA (0.47) PRKCAMMP12SMN1; SMN2CA2NR1I2
SCHEMBL774159 0.91 PRKCA (0.47) PRKCAMMP12SMN1; SMN2CA2NR1I2
SCHEMBL771810 0.91 KCNH2 (0.42) PRKCAMMP12SMN1; SMN2CA2NR1I2
SCHEMBL3784315 0.90 KCNH2 (0.42) PRKCAMMP12CA2NR1I2CYP3A4
SCHEMBL773883 0.90 KCNH2 (0.42) PRKCAMMP12SMN1; SMN2CA2NR1I2
SCHEMBL3780892 0.89 KCNH2 (0.41) PRKCAMMP12SMN1; SMN2CA2NR1I2
SCHEMBL3783427 0.89 ROCK2 (0.42) PRKCAMMP12SMN1; SMN2NR1I2CYP3A4
SCHEMBL774091 0.89 KCNH2 (0.41) PRKCAMMP12SMN1; SMN2CA2NR1I2

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 8 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-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
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 1013/4885SMN1; SMN2 4306/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885SMN1; SMN2 4306/4885

“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.