SCHEMBL772403

SCHEMBL772403

O=C(NC1(C(=O)NC2CCC(C(=O)O)CC2)CCC1)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1ccccc1-3

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
CYP3A4 P08684 12/20 0.43
CYP2C19 P33261 11/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
SCN9A Q15858 1/20 0.41
NR1I2 O75469 1/20 0.39
KCNH2 Q12809 1/20 0.36
CNR1 P21554 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
SCHEMBL771973 0.90 PRKCA (0.51) TSHRPRKCAMMP12SCN9ANR1I2
SCHEMBL772238 0.90 PRKCA (0.51) TSHRPRKCAMMP12SCN9ANR1I2
SCHEMBL773367 0.89 PRKCA (0.47) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL772727 0.88 PRKCA (0.49) TSHRPRKCAMMP12CYP3A4CYP2C19
SCHEMBL772402 0.88 CYP3A4 (0.53) TSHRPRKCAMMP12CYP3A4CYP2C19
SCHEMBL772843 0.88 PRKCA (0.49) TSHRPRKCAMMP12CYP3A4CYP2C19
SCHEMBL774051 0.86 PRKCA (0.49) TSHRPRKCAMMP12CYP3A4CYP2C19
SCHEMBL773986 0.86 PRKCA (0.49) TSHRPRKCAMMP12CYP3A4CYP2C19
SCHEMBL771626 0.86 PRKCA (0.47) TSHRPRKCAMMP12CYP3A4CYP2C19
SCHEMBL772574 0.86 CYP3A4 (0.53) TSHRPRKCAMMP12CYP3A4CYP2C19

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 7 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
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 TSHR 4089/4885PRKCA 2404/4885MMP12 1013/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TSHR 4089/4885PRKCA 2404/4885MMP12 1013/4885

“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.