SCHEMBL26878466

SCHEMBL26878466

CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)C2OC(C)(C)O[C@H]21)Oc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ TMPRSS2 O15393 1/20 0.32
▸ BTN3A1 O00481 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
SCHEMBL17712267 1.00 CYP3A4 (0.34) CYP3A4CYP2C9TMPRSS2BTN3A1
SCHEMBL19504146 1.00 CYP3A4 (0.34) CYP3A4CYP2C9TMPRSS2BTN3A1
SCHEMBL22143082 1.00 CYP3A4 (0.34) CYP3A4CYP2C9TMPRSS2BTN3A1
SCHEMBL17712268 1.00 CYP3A4 (0.34) CYP3A4CYP2C9TMPRSS2BTN3A1
SCHEMBL17712270 1.00 CYP3A4 (0.34) CYP3A4CYP2C9TMPRSS2BTN3A1
SCHEMBL23034488 1.00 CYP3A4 (0.34) CYP3A4CYP2C9TMPRSS2BTN3A1
SCHEMBL25013580 0.95 TMPRSS2 (0.32) TMPRSS2
SCHEMBL25519234 0.94 CYP3A4 (0.34) CYP3A4CYP2C9TMPRSS2BTN3A1
SCHEMBL25013991 0.93 TMPRSS2 (0.32) TMPRSS2
SCHEMBL30269833 0.92 TMPRSS2 (0.30) TMPRSS2

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-20230381761-A1 CATALYSTS AND THEIR USES IN ONE-POT DIASTEREOSELECTIVE SYNTHESIS OF REMDESIVIR ACADEMIA SINICA (TW) 2023-11-30 — — 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-20230381761-A1 CATALYSTS AND THEIR USES IN ONE-POT DIASTEREOSELECTIVE SYNTHESIS OF REMDESIVIR MTAP, PNP, ALKBH1 CYP3A4 127/4885CYP2C9 347/4885TMPRSS2 663/4885

“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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