SCHEMBL25763012

SCHEMBL25763012

CC[C@@]1(C#N)O[C@@H](c2ccc3c(N)ncnn23)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.34
▸ MAP4K4 O95819 1/20 0.32
▸ PIK3CD O00329 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
SCHEMBL19101840 0.91 POLRMT (0.36) POLRMTMAP4K4PIK3CD
SCHEMBL25244021 0.91 POLRMT (0.36) POLRMTMAP4K4PIK3CD
SCHEMBL31216422 0.89 POLRMT (0.32) POLRMT
SCHEMBL25387226 0.86 POLRMT (0.37) POLRMT
SCHEMBL19779082 0.86 POLRMT (0.34) POLRMT
SCHEMBL25388205 0.86 POLRMT (0.38) POLRMTPIK3CD
SCHEMBL25395596 0.85 POLRMT (0.36) POLRMT
SCHEMBL25389747 0.85 POLRMT (0.36) POLRMT
SCHEMBL25386413 0.85 POLRMT (0.36) POLRMT
SCHEMBL25391944 0.84 POLRMT (0.37) POLRMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — US disclosed
US-20230212199-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-07-06 — — 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 (2 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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 POLRMT 535/4885MAP4K4 1073/4885PIK3CD 4286/4885
US-20230212199-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PHOSPHO1, SGMS1, SGMS2 POLRMT 266/4885MAP4K4 3875/4885PIK3CD 246/4885

“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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