SCHEMBL23844078

SCHEMBL23844078

CCC(=O)O[C@@H](c1ccc2c(N)ncnn12)[C@H](OC(=O)CC)[C@@](CF)(COP(=O)(N[C@@H](C)C(=O)OC)Oc1ccccc1)OC

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 6/20 0.37
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ RIPK1 Q13546 3/20 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
SCHEMBL23844298 0.94 BTN3A1 (0.32) BTN3A1CYP3A4CYP2C9
SCHEMBL27441450 0.90 CYP3A4 (0.35) BTN3A1CYP3A4CYP2C9RIPK1
SCHEMBL27442815 0.87 BTN3A1 (0.33) BTN3A1CYP3A4CYP2C9RIPK1
SCHEMBL23844108 0.84 CYP3A4 (0.33) BTN3A1CYP3A4CYP2C9
SCHEMBL27440177 0.83 CYP3A4 (0.33) BTN3A1CYP3A4CYP2C9
SCHEMBL23819240 0.83 BTN3A1 (0.34) BTN3A1RIPK1
SCHEMBL23818648 0.83 BTN3A1 (0.35) BTN3A1RIPK1
SCHEMBL27440417 0.82 BTN3A1 (0.35) BTN3A1CYP3A4CYP2C9RIPK1
SCHEMBL23819293 0.82 BTN3A1 (0.44) BTN3A1RIPK1
SCHEMBL23844046 0.82 RIPK1 (0.30) RIPK1

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-20210292348-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-09-23 — — 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 (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-20210292348-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, DUT BTN3A1 4438/4885CYP3A4 1416/4885CYP2C9 2731/4885

“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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