SCHEMBL26339734

SCHEMBL26339734

C[C@H](NP(=O)(OC[C@]1(C#N)CC[C@H](c2ccc3c(N)ncnn23)O1)Oc1ccccc1)C(=O)OC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 4/20 0.34
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ DRD2 P14416 2/20 0.30
▸ KCNA3 P22001 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
SCHEMBL23818778 0.93 POLRMT (0.33) BTN3A1
SCHEMBL26339710 0.91 BTN3A1 (0.35) BTN3A1DRD2
SCHEMBL23819171 0.90 POLRMT (0.32) BTN3A1
SCHEMBL23818847 0.90 POLRMT (0.33) BTN3A1
SCHEMBL23818488 0.90 POLRMT (0.33) BTN3A1
SCHEMBL23819183 0.90 POLRMT (0.33) BTN3A1
SCHEMBL23818505 0.89 CYP3A4 (0.32) BTN3A1
SCHEMBL23818568 0.89 POLRMT (0.32) BTN3A1
SCHEMBL23819108 0.89 POLRMT (0.35) BTN3A1JAK2JAK1DRD2KCNA3
SCHEMBL30142091 0.89 POLRMT (0.35) BTN3A1JAK2JAK1DRD2KCNA3

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 4597/4885JAK2 2606/4885JAK1 4312/4885

“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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