SCHEMBL12393386

SCHEMBL12393386

C[C@@]1(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@]1(CO)c1ccc2c(N)ncnn12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.35
▸ TNK2 Q07912 1/20 0.32
▸ PTPN1 P18031 3/20 0.31
▸ CDC25B P30305 3/20 0.31
▸ PDE2A O00408 2/20 0.31
▸ RIPK1 Q13546 4/20 0.31
▸ BCHE P06276 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
SCHEMBL13532037 0.93 TNK2 (0.33) TNK2RIPK1
SCHEMBL12393393 0.88 HSPA5 (0.36) HSPA5TNK2PTPN1CDC25BPDE2A
SCHEMBL19088037 0.88 HSPA5 (0.36) HSPA5TNK2PTPN1CDC25BPDE2A
SCHEMBL10082719 0.88 HSPA5 (0.36) HSPA5TNK2PTPN1CDC25BPDE2A
SCHEMBL12393217 0.88 HSPA5 (0.35) HSPA5TNK2PDE2ARIPK1BCHE
SCHEMBL12243182 0.85 HSPA5 (0.33) HSPA5TNK2PDE2ABCHE
SCHEMBL12393231 0.85 HSPA5 (0.33) HSPA5PDE2A
SCHEMBL12393368 0.85 HSPA5 (0.33) HSPA5PDE2A
SCHEMBL17453586 0.85 HSPA5 (0.33) HSPA5TNK2PDE2ABCHE
SCHEMBL10083635 0.85 HSPA5 (0.33) HSPA5TNK2PDE2ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 — — 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-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 HSPA5 2596/4885TNK2 1494/4885PTPN1 317/4885

“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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