SCHEMBL27435955

SCHEMBL27435955

CCC(CC)COC(=O)[C@H](C)NP(=O)(OC[C@@]1(CCl)O[C@@H](c2ccc3c(N)ccnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ BTN3A1 O00481 4/20 0.34
▸ KRAS P01116 1/20 0.32
▸ POLRMT O00411 1/20 0.32

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
SCHEMBL27436062 0.94 CYP3A4 (0.36) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL23827907 0.91 POLRMT (0.40) CYP3A4CYP2C9BTN3A1KRASPOLRMT
SCHEMBL23827910 0.91 POLRMT (0.40) CYP3A4CYP2C9BTN3A1KRASPOLRMT
SCHEMBL16708575 0.88 CYP3A4 (0.34) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL16708584 0.87 POLRMT (0.47) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL27436053 0.86 CYP3A4 (0.36) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL23844045 0.85 POLRMT (0.40) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL23844000 0.85 POLRMT (0.40) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL27436055 0.85 CYP3A4 (0.43) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL27436063 0.84 CYP3A4 (0.34) CYP3A4CYP2C9BTN3A1

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-12030903-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2024-07-09 — — 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-12030903-B2 Antiviral compounds EIF2AK2, MAVS, DUT CYP3A4 1416/4885CYP2C9 2731/4885BTN3A1 4438/4885

“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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