SCHEMBL23818653

SCHEMBL23818653

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@@]1(C)O[C@@H](c2ccc3c(N)ncnn23)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ BTN3A1 O00481 6/20 0.39
▸ POLRMT O00411 1/20 0.35
▸ RIPK1 Q13546 2/20 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
SCHEMBL26333100 1.00 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1POLRMTRIPK1
SCHEMBL26333150 0.95 BTN3A1 (0.37) CYP3A4CYP2C9BTN3A1POLRMTRIPK1
SCHEMBL26333159 0.95 BTN3A1 (0.37) CYP3A4CYP2C9BTN3A1POLRMTRIPK1
SCHEMBL26338130 0.95 BTN3A1 (0.37) CYP3A4CYP2C9BTN3A1POLRMTRIPK1
SCHEMBL26344629 0.94 CYP3A4 (0.38) CYP3A4CYP2C9BTN3A1POLRMTRIPK1
SCHEMBL23818909 0.94 CYP3A4 (0.38) CYP3A4CYP2C9BTN3A1POLRMTRIPK1
SCHEMBL23818607 0.94 CYP3A4 (0.38) CYP3A4CYP2C9BTN3A1POLRMTRIPK1
SCHEMBL26334045 0.94 CYP3A4 (0.38) CYP3A4CYP2C9BTN3A1POLRMTRIPK1
SCHEMBL23819011 0.94 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1POLRMTRIPK1
SCHEMBL26288147 0.94 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1POLRMTRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284670-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-09-16 — — 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 (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-20210284670-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 CYP3A4 435/4885CYP2C9 1982/4885BTN3A1 4597/4885

“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.

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