SCHEMBL23818978

SCHEMBL23818978

CC[C@H]1CC[C@H](COC(=O)[C@H](C)NP(=O)(OC[C@@]2(C#N)O[C@@H](c3ccc4c(N)ncnn34)[C@H](O)[C@@H]2O)Oc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.38
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ TNK2 Q07912 1/20 0.31
▸ DOT1L Q8TEK3 1/20 0.31
▸ BTN3A1 O00481 3/20 0.31
▸ AXL P30530 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
SCHEMBL26281217 1.00 POLRMT (0.38) POLRMTCYP3A4CYP2C9TNK2DOT1L
SCHEMBL23819252 0.98 POLRMT (0.40) POLRMTCYP3A4CYP2C9TNK2DOT1L
SCHEMBL23803244 0.98 POLRMT (0.40) POLRMTCYP3A4CYP2C9TNK2DOT1L
SCHEMBL23803239 0.98 POLRMT (0.40) POLRMTCYP3A4CYP2C9TNK2DOT1L
SCHEMBL23803241 0.98 POLRMT (0.40) POLRMTCYP3A4CYP2C9TNK2DOT1L
SCHEMBL30089917 0.95 POLRMT (0.38) POLRMTCYP3A4CYP2C9TNK2DOT1L
SCHEMBL26276274 0.95 POLRMT (0.38) POLRMTCYP3A4CYP2C9TNK2DOT1L
SCHEMBL23803375 0.95 POLRMT (0.39) POLRMTCYP3A4CYP2C9TNK2DOT1L
SCHEMBL23803372 0.95 POLRMT (0.39) POLRMTCYP3A4CYP2C9TNK2DOT1L
SCHEMBL23803370 0.95 POLRMT (0.39) POLRMTCYP3A4CYP2C9TNK2DOT1L

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 POLRMT 535/4885CYP3A4 435/4885CYP2C9 1982/4885

“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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