SCHEMBL772942

SCHEMBL772942

COC(=O)[C@H](Cc1ccc(NC(=O)OCc2ccccc2)cc1)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OC)ccc1-3

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
YAP1 P46937 2/20 0.38
ERAP2 Q6P179 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL773993 0.96 NR1I2 (0.41) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2202876 0.93 KCNH2 (0.42) NR1I2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL771846 0.91 KCNH2 (0.41) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL771941 0.89 KCNH2 (0.42) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL772487 0.89 LNPEP (0.43) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL774124 0.89 KCNH2 (0.41) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL12429109 0.88 PTPN1 (0.38) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL771931 0.88 KCNH2 (0.42) NR1I2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL12510477 0.88 KCNH2 (0.42) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL771794 0.88 NR1I2 (0.40) NR1I2CYP3A4CYP2C9CYP2C19KDM4E

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 NR1I2 1189/4885CYP3A4 1341/4885CYP2C9 976/4885

“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.