SCHEMBL26538170

SCHEMBL26538170

Nc1nc(F)nn2c(C3(F)CO[C@H](COCc4ccccc4)[C@H]3OCc3ccccc3)cnc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.37
▸ HSPA5 P11021 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ BACE1 P56817 2/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ MAP3K12 Q12852 1/20 0.30
▸ BACE2 Q9Y5Z0 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
SCHEMBL23773217 1.00 PDE2A (0.37) PDE2AHSPA5TAAR1BACE1CA1
SCHEMBL18787325 0.92 PDE2A (0.38) PDE2AHSPA5TAAR1BACE1CA1
SCHEMBL26538075 0.88 PDE2A (0.36) PDE2AHSPA5TAAR1
SCHEMBL23773310 0.88 PDE2A (0.36) PDE2AHSPA5TAAR1
SCHEMBL23773047 0.81 PDE2A (0.34) PDE2AHSPA5
SCHEMBL23773175 0.81 PDE2A (0.34) PDE2AHSPA5
SCHEMBL26538322 0.81 PDE2A (0.34) PDE2AHSPA5
SCHEMBL23773309 0.80 PDE2A (0.32) PDE2A
SCHEMBL26538233 0.80 PDE2A (0.32) PDE2A
SCHEMBL23773180 0.78 PDE2A (0.31) PDE2A

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-11787832-B2 2′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2023-10-17 — — 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-11787832-B2 2′-substituted carba-nucleoside analogs for antiviral treatment PNP, RNMT, SLC29A1 PDE2A 491/4885HSPA5 4575/4885TAAR1 4383/4885

“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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