SCHEMBL8010656

SCHEMBL8010656

C=Cc1cccc(-c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 2/20 0.40
P2RX3 P56373 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MCL1 Q07820 9/20 0.36
TGM2 P21980 1/20 0.36
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7998582 0.88 USP30 (0.42) UCHL1P2RX3NR1H2NR1H3MCL1
SCHEMBL7999134 0.88 CYP3A4 (0.42)
SCHEMBL8008173 0.87 MMP2 (0.32)
SCHEMBL10292807 0.86 SCN9A (0.33)
SCHEMBL10261387 0.84 CYP3A4 (0.34)
SCHEMBL8000901 0.84
SCHEMBL10261079 0.84 CYP3A4 (0.34)
SCHEMBL13254483 0.83 P2RX3 (0.39) UCHL1P2RX3NR1H2NR1H3MCL1
SCHEMBL6864073 0.81 P2RX3 (0.48) UCHL1P2RX3NR1H2NR1H3MCL1
SCHEMBL13864478 0.81 CYP3A4 (0.36)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8324155-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8211891-B2 Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211891-B2 Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
WO-2009134987-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-11-05 US disclosed
WO-2009064975-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-05-22 WO 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-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, DPP4, SPINT2 UCHL1 1095/4885P2RX3 3171/4885NR1H2 677/4885

“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.