SCHEMBL3375479

SCHEMBL3375479

COC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
CTSB P07858 1/20 0.46
ELANE P08246 13/20 0.40
ROCK2 O75116 1/20 0.36
P2RX3 P56373 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL3372288 0.94 CYP3A4 (0.65) CYP3A4CTSBELANEROCK2
SCHEMBL8142617 0.94 CYP3A4 (0.65) CYP3A4CTSBELANEROCK2
SCHEMBL8149983 0.93 CYP3A4 (0.64) CYP3A4CTSBELANEROCK2
SCHEMBL3408415 0.87 CYP3A4 (0.64) CYP3A4CTSBELANE
SCHEMBL3373503 0.86 CYP3A4 (0.49) CYP3A4CTSBROCK2P2RX3KDM4E
SCHEMBL8134019 0.86 CYP3A4 (0.49) CYP3A4CTSBROCK2P2RX3KDM4E
SCHEMBL15213304 0.86 CYP3A4 (0.55) CYP3A4CTSBELANE
SCHEMBL16318497 0.86 CYP3A4 (0.55) CYP3A4CTSBELANE
SCHEMBL16318495 0.86 CYP3A4 (0.55) CYP3A4CTSBELANE
SCHEMBL8131033 0.86 CYP3A4 (0.56) CYP3A4CTSBELANE

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 12 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
US-20090142257-A1 Inorganic hydrogen compounds and applications thereof BLACKLIGHT POWER, INC. 2009-06-04 US disclosed
US-20090136853-A1 Hydride battery BLACKLIGHT POWER, INC. 2009-05-28 US disclosed
US-20090129992-A1 Reactor for Preparing Hydrogen Compounds BLACKLIGHT POWER, INC. 2009-05-21 US disclosed
US-20090130016-A1 Doped thermionic cathode and method of making doped thermionic cathode BLACKLIGHT POWER, INC. 2009-05-21 US disclosed
US-20090123360-A1 Inorganic hydrogen compounds BLACKLIGHT POWER, INC. 2009-05-14 US disclosed
US-20090123356-A1 Inorganic hydrogen compounds BLACKLIGHT POWER, INC. 2009-05-14 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.