SCHEMBL23685889

SCHEMBL23685889

CCC(CC)COC(=O)[C@H](C)NP(=O)(OC[C@H]1OC(/C=N\C)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ KRAS P01116 1/20 0.32
▸ BTN3A1 O00481 4/20 0.32
▸ POLRMT O00411 1/20 0.32
▸ RIPK1 Q13546 1/20 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
SCHEMBL20647932 1.00 CYP3A4 (0.35) CYP3A4CYP2C9KRASBTN3A1POLRMT
SCHEMBL19223302 1.00 CYP3A4 (0.35) CYP3A4CYP2C9KRASBTN3A1POLRMT
SCHEMBL18636581 1.00 CYP3A4 (0.35) CYP3A4CYP2C9KRASBTN3A1POLRMT
SCHEMBL18636579 1.00 CYP3A4 (0.35) CYP3A4CYP2C9KRASBTN3A1POLRMT
SCHEMBL23034636 1.00 CYP3A4 (0.35) CYP3A4CYP2C9KRASBTN3A1POLRMT
SCHEMBL18636388 1.00 CYP3A4 (0.35) CYP3A4CYP2C9KRASBTN3A1POLRMT
SCHEMBL19223102 1.00 CYP3A4 (0.35) CYP3A4CYP2C9KRASBTN3A1POLRMT
SCHEMBL18636609 1.00 CYP3A4 (0.35) CYP3A4CYP2C9KRASBTN3A1POLRMT
SCHEMBL21283656 0.94 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL22142954 0.94 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1POLRMT

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-20210228605-A1 ISOMORPHS OF REMDESIVIR AND METHODS FOR SYNTHESIS OF SAME Anzalp Pharmasolutions Pvt. Ltd. (IN) 2021-07-29 — — 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-20210228605-A1 ISOMORPHS OF REMDESIVIR AND METHODS FOR SYNTHESIS OF SAME MTAP, SARS1, PNP CYP3A4 64/4885CYP2C9 335/4885KRAS 4493/4885

“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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