SCHEMBL13757652

SCHEMBL13757652

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.72
CTSB P07858 1/20 0.60
PPP3CB P16298 1/20 0.60

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
SCHEMBL3407956 1.00 CYP3A4 (0.72) CYP3A4CTSBPPP3CB
SCHEMBL8290309 0.92 CYP3A4 (0.82) CYP3A4CTSBPPP3CB
SCHEMBL8284751 0.91 CYP3A4 (0.71) CYP3A4CTSBPPP3CB
SCHEMBL14376840 0.91 CYP3A4 (0.71) CYP3A4CTSBPPP3CB
SCHEMBL8350299 0.91 CYP3A4 (0.88) CYP3A4
SCHEMBL12773056 0.91 CYP3A4 (0.88) CYP3A4
SCHEMBL3404135 0.91 CYP3A4 (0.59) CYP3A4CTSBPPP3CB
SCHEMBL8142339 0.91 CYP3A4 (0.59) CYP3A4CTSBPPP3CB
SCHEMBL12054672 0.91 CYP3A4 (0.85) CYP3A4
SCHEMBL16380548 0.91 CYP3A4 (0.85) CYP3A4

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-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
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CTSB 630/4885PPP3CB 1553/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CTSB 630/4885PPP3CB 1553/4885

“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.