SCHEMBL13536739

SCHEMBL13536739

C[C@@H](CCCC(C)(C)C)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13536727 1.00 MAPK1 (0.31) MAPK1MEN1CYP3A4ALOX15KMT2A
SCHEMBL13536750 0.93
SCHEMBL13536762 0.91 ACACB (0.31)
SCHEMBL13536753 0.91 ACACB (0.31)
SCHEMBL9750995 0.80 MAPK1 (0.33) MAPK1
SCHEMBL12666595 0.80 LMNA (0.43) MEN1CYP3A4ALOX15KMT2A
SCHEMBL15931246 0.78 DNM1 (0.35) MAPK1
SCHEMBL598576 0.76 MEN1 (0.45) MEN1CYP3A4ALOX15KMT2A
SCHEMBL5107546 0.76
SCHEMBL10788996 0.76 CPB2 (0.30)

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 5 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-20130144036-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-06-06 US disclosed
US-8324155-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100003214-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-01-07 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 (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-20100003214-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CYP3A4, CYP3A5, KEAP1 MAPK1 1952/4885MEN1 4069/4885CYP3A4 1/4885
US-20130144036-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CYP3A4, CYP3A5, KEAP1 MAPK1 1952/4885MEN1 4069/4885CYP3A4 1/4885

“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.