SCHEMBL23818671

SCHEMBL23818671

COC(=O)[C@H](C)NP(=O)(OC[C@@](C#N)(OC)[C@H](Cc1ccc2c(N)ncnn12)OC(=O)C(C)C)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 6/20 0.39
▸ RIPK1 Q13546 3/20 0.32
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL26341768 0.92 BTN3A1 (0.34) BTN3A1
SCHEMBL26340270 0.92 BTN3A1 (0.33) BTN3A1RIPK1
SCHEMBL26340572 0.92 BTN3A1 (0.33) BTN3A1
SCHEMBL23819103 0.91 BTN3A1 (0.40) BTN3A1RIPK1
SCHEMBL23818643 0.85 BTN3A1 (0.41) BTN3A1RIPK1
SCHEMBL23819096 0.83 BTN3A1 (0.35) BTN3A1RIPK1CYP3A4CYP2C9
SCHEMBL26332387 0.83 BTN3A1 (0.40) BTN3A1RIPK1
SCHEMBL23819318 0.83 BTN3A1 (0.33) BTN3A1
SCHEMBL23819315 0.82 BTN3A1 (0.34) BTN3A1RIPK1
SCHEMBL26333894 0.82 BTN3A1 (0.36) BTN3A1RIPK1

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 BTN3A1 4597/4885RIPK1 666/4885CYP3A4 435/4885

“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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