SCHEMBL13260668

SCHEMBL13260668

C[C@H]1[C@H](OC(C)(C)O)[C@@H](CO)O[C@H]1c1scc2c(N)ncnc12

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.37
▸ GAPDH P04406 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
SCHEMBL12261313 0.77 HIF1A (0.57) HIF1AGAPDH
SCHEMBL18009714 0.74 PI4KA (0.49) HIF1AGAPDH
SCHEMBL13260665 0.72 PDE2A (0.41) —
SCHEMBL12261152 0.69 ADORA2A (0.47) HIF1AGAPDH
SCHEMBL12261248 0.68 ADORA2A (0.40) HIF1AGAPDH
SCHEMBL12310541 0.66 DNPH1 (0.38) —
SCHEMBL12261214 0.66 PI4KA (0.37) HIF1A
SCHEMBL15899073 0.65 SMN1; SMN2 (0.39) HIF1AGAPDH
SCHEMBL15898780 0.65 SMN1; SMN2 (0.39) HIF1AGAPDH
SCHEMBL12261243 0.64 PDE2A (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140170148-A1 BISPECIFIC ANTIBODIES AGAINST HER2 GENMAB A/S (DK) 2014-06-19 — — US disclosed
WO-2010093608-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-19 — — WO 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-20140170148-A1 BISPECIFIC ANTIBODIES AGAINST HER2 ERBB2, EGFR, ERBB3 HIF1A 806/4885GAPDH 3160/4885

“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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