SCHEMBL26295313

SCHEMBL26295313

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ DOT1L Q8TEK3 1/20 0.32
▸ TNK2 Q07912 1/20 0.31
▸ BTN3A1 O00481 3/20 0.31
▸ AXL P30530 1/20 0.30
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2A1 P68400 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
SCHEMBL26289455 0.93 CYP3A4 (0.33) POLRMTCYP3A4CYP2C9DOT1LTNK2
SCHEMBL23819337 0.92 POLRMT (0.30) POLRMTCYP3A4CYP2C9
SCHEMBL26276274 0.92 POLRMT (0.38) POLRMTCYP3A4CYP2C9DOT1LTNK2
SCHEMBL30089917 0.92 POLRMT (0.38) POLRMTCYP3A4CYP2C9DOT1LTNK2
SCHEMBL23803244 0.89 POLRMT (0.40) POLRMTCYP3A4CYP2C9DOT1LTNK2
SCHEMBL23803241 0.89 POLRMT (0.40) POLRMTCYP3A4CYP2C9DOT1LTNK2
SCHEMBL23819252 0.89 POLRMT (0.40) POLRMTCYP3A4CYP2C9DOT1LTNK2
SCHEMBL23803239 0.89 POLRMT (0.40) POLRMTCYP3A4CYP2C9DOT1LTNK2
SCHEMBL23819171 0.89 POLRMT (0.32) POLRMTCYP3A4CYP2C9TNK2BTN3A1
SCHEMBL26289346 0.87 DOT1L (0.34) POLRMTCYP3A4CYP2C9DOT1LBTN3A1

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-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — 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-20230295201-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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