SCHEMBL12243233

SCHEMBL12243233

C[C@@]1(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OC1(C#N)c1cnc2c(N)nc(S(C)(=O)=O)nn12

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.31
▸ HSPA5 P11021 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
SCHEMBL19997431 0.90 PDE2A (0.33) PDE2AHSPA5
SCHEMBL12243236 0.90 PDE2A (0.33) PDE2AHSPA5
SCHEMBL12243231 0.89 HSPA5 (0.33) PDE2AHSPA5
SCHEMBL12243220 0.88 PDE2A (0.32) PDE2AHSPA5
SCHEMBL23278040 0.88 BCHE (0.30) —
SCHEMBL19997438 0.85 HSPA5 (0.34) PDE2AHSPA5
SCHEMBL20380391 0.82 TLR7 (0.30) —
SCHEMBL12836480 0.81 — —
SCHEMBL12243218 0.81 — —
SCHEMBL19997408 0.80 — —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403497-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1`-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. 2021-12-30 — — US disclosed
US-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs GILEAD SCIENCES, INC. (US) 2018-07-17 — — US disclosed
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-09-22 — — US disclosed
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-09-22 — — 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 (3 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-20210403497-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1`-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS PNP, TYMP, TYMS PDE2A 2184/4885HSPA5 4524/4885
US-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs PNP, TYMP, CDA PDE2A 2346/4885HSPA5 4513/4885
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS PNP, TYMP, CDA PDE2A 2568/4885HSPA5 4599/4885

“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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