SCHEMBL26339715

SCHEMBL26339715

C[C@H](NP(=O)(OC[C@@]1(C)OC[C@](O)(c2ccc3c(N)ncnn23)[C@@H]1O)Oc1ccccc1)C(=O)OC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 4/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ DRD2 P14416 1/20 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
SCHEMBL26288104 0.86 CYP3A4 (0.36) BTN3A1CYP3A4CYP2C9
SCHEMBL26298045 0.85 BTN3A1 (0.40) BTN3A1CYP3A4CYP2C9
SCHEMBL26291204 0.85 — —
SCHEMBL27440697 0.84 CYP3A4 (0.33) BTN3A1CYP3A4CYP2C9
SCHEMBL26339710 0.84 BTN3A1 (0.35) BTN3A1CYP3A4CYP2C9DRD2
SCHEMBL26297936 0.83 BTN3A1 (0.34) BTN3A1CYP3A4CYP2C9
SCHEMBL26290191 0.83 CTSL (0.35) BTN3A1CYP3A4CYP2C9
SCHEMBL26290189 0.83 CTSL (0.35) BTN3A1CYP3A4CYP2C9
SCHEMBL26289631 0.83 CYP3A4 (0.34) BTN3A1CYP3A4CYP2C9
SCHEMBL26290835 0.83 BTN3A1 (0.36) BTN3A1CYP3A4CYP2C9

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-11767337-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2023-09-26 — — 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-11767337-B2 Antiviral compounds MAVS, HAVCR2, ZC3HAV1 BTN3A1 4597/4885IRAK4 3579/4885CYP3A4 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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