SCHEMBL3374981

SCHEMBL3374981

COC(=O)C1(NC(=O)C2CC(Oc3nccc4cc(OC)ccc34)CN2C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)CC1CC#N

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.68
CTSB P07858 2/20 0.42
ELANE P08246 6/20 0.39
PPP3CB P16298 1/20 0.39
ABCC1 P33527 1/20 0.37
ABCC2 Q92887 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KCNH2 Q12809 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
SCHEMBL13763812 1.00 CYP3A4 (0.68) CYP3A4CTSBELANEPPP3CBABCC1
SCHEMBL8139915 0.93 CYP3A4 (0.69) CYP3A4CTSBELANEPPP3CBABCC1
SCHEMBL3371002 0.93 CYP3A4 (0.69) CYP3A4CTSBELANEPPP3CBABCC1
SCHEMBL3813213 0.92 CYP3A4 (0.68) CYP3A4CTSBELANEPPP3CBABCC1
SCHEMBL13757805 0.92 CYP3A4 (0.68) CYP3A4CTSBELANEPPP3CBABCC1
SCHEMBL13757787 0.92 CYP3A4 (0.68) CYP3A4CTSBELANEPPP3CBABCC1
SCHEMBL3408323 0.92 CYP3A4 (0.68) CYP3A4CTSBELANEPPP3CBABCC1
SCHEMBL15483935 0.89 CYP3A4 (0.68) CYP3A4CTSBELANEPPP3CBABCC1
SCHEMBL13757558 0.89 CYP3A4 (0.68) CYP3A4CTSBELANEPPP3CBABCC1
SCHEMBL8130805 0.88 CYP3A4 (0.69) CYP3A4CTSBELANEPPP3CBABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CTSB 630/4885ELANE 1237/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CTSB 630/4885ELANE 1237/4885

“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.