SCHEMBL4453896

SCHEMBL4453896

O=C(O)CC1CCN(c2ccc(C(=O)N[C@H]3C4CC5C[C@@H]3C[C@@](O)(C5)C4)c(SC3CCCC3)n2)C1

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.98
HSD11B1 P28845 12/20 0.79

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
SCHEMBL2009400 1.00 IDH1 (0.98) IDH1HSD11B1
SCHEMBL1970741 1.00 IDH1 (0.98) IDH1HSD11B1
SCHEMBL2009075 1.00 IDH1 (0.98) IDH1HSD11B1
SCHEMBL2009072 1.00 IDH1 (0.98) IDH1HSD11B1
SCHEMBL12571200 1.00 IDH1 (0.98) IDH1HSD11B1
SCHEMBL1970745 1.00 IDH1 (0.98) IDH1HSD11B1
SCHEMBL13599991 1.00 IDH1 (0.98) IDH1HSD11B1
SCHEMBL12571217 0.99 IDH1 (1.00) IDH1HSD11B1
SCHEMBL1973308 0.99 IDH1 (1.00) IDH1HSD11B1
SCHEMBL1969940 0.99 IDH1 (1.00) IDH1HSD11B1

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-20090312372-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-17 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-20090312372-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 IDH1 516/4885HSD11B1 1/4885

“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.