SCHEMBL21540903

SCHEMBL21540903

CC(C)(C)Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](CO)O1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.67
▸ SLC29A1 Q99808 1/20 0.59

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
SCHEMBL21540588 0.91 HIF1A (0.63) HIF1ASLC29A1
SCHEMBL14616841 0.89 HIF1A (0.53) HIF1ASLC29A1
SCHEMBL548570 0.88 HIF1A (0.71) HIF1ASLC29A1
SCHEMBL6267089 0.88 HIF1A (0.71) HIF1ASLC29A1
SCHEMBL548569 0.88 HIF1A (0.71) HIF1ASLC29A1
SCHEMBL23982373 0.88 HIF1A (0.71) HIF1ASLC29A1
SCHEMBL21011280 0.88 HIF1A (0.71) HIF1ASLC29A1
SCHEMBL6267085 0.88 HIF1A (0.71) HIF1ASLC29A1
SCHEMBL2288240 0.86 HIF1A (0.68) HIF1ASLC29A1
SCHEMBL2288246 0.86 HIF1A (0.68) HIF1ASLC29A1

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-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 — — US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 — — 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 (2 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-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 HIF1A 3486/4885SLC29A1 661/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 HIF1A 3473/4885SLC29A1 642/4885

“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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