SCHEMBL8149983

SCHEMBL8149983

COc1ccc2c(O[C@@H]3C[C@@H](C(N)=O)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C3)nccc2c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
CTSB P07858 1/20 0.45
ELANE P08246 13/20 0.41
ROCK2 O75116 1/20 0.39
ABCB1 P08183 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 0.93 CYP3A4 (0.65) CYP3A4CTSBELANEROCK2
SCHEMBL8142617 0.93 CYP3A4 (0.65) CYP3A4CTSBELANEROCK2
SCHEMBL3375479 0.93 CYP3A4 (0.65) CYP3A4CTSBELANEROCK2
SCHEMBL6913229 0.92 CYP3A4 (0.58) CYP3A4CTSBELANEROCK2
SCHEMBL12464038 0.89 CYP3A4 (0.54) CYP3A4CTSBELANEROCK2
SCHEMBL12336181 0.89 CYP3A4 (0.53) CYP3A4CTSBELANEROCK2
SCHEMBL12779428 0.89 CYP3A4 (0.56) CYP3A4CTSBELANEROCK2
SCHEMBL12779845 0.88 CYP3A4 (0.52) CYP3A4CTSBELANEROCK2
SCHEMBL6914584 0.87 CYP3A4 (0.51) CYP3A4CTSBELANEROCK2
SCHEMBL3408415 0.86 CYP3A4 (0.64) 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 2 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
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 (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-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.