SCHEMBL772746

SCHEMBL772746

COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OC)ccc1-3

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.39
NR1I2 O75469 5/20 0.39
CYP3A4 P08684 3/20 0.38
SCN5A Q14524 2/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3787556 0.95 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL772265 0.86 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL772747 0.85 NR1I2 (0.39) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL772071 0.83 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL771822 0.83 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL771933 0.83 ROCK2 (0.41) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL792931 0.82 KCNH2 (0.48) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL771931 0.82 KCNH2 (0.42) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL772487 0.82 LNPEP (0.43) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL12429083 0.82 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5ACYP2C9

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 4 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

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KCNH2 3813/4885NR1I2 1189/4885CYP3A4 1341/4885

“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.