SCHEMBL20563104

SCHEMBL20563104

CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC(C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
HIF1A Q16665 5/20 0.39
DGAT1 O75907 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
LIPG Q9Y5X9 2/20 0.35
LPL P06858 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F9 P00740 1/20 0.34
PLAU P00749 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL28486596 0.81 HIF1A (0.41) AAK1HIF1ADGAT1ALDH1A1KDM4E
SCHEMBL29445932 0.81 HIF1A (0.41) AAK1HIF1ADGAT1ALDH1A1KDM4E
SCHEMBL3191709 0.81 PPARA (0.41) AAK1HIF1ADGAT1LIPGLPL
SCHEMBL28339407 0.80 PDE4A (0.43) AAK1HIF1ADGAT1LIPGLPL
SCHEMBL182626 0.80 LPL (0.47) AAK1HIF1AKDM4ELIPGLPL
SCHEMBL16428161 0.79 LPL (0.44) ALDH1A1KDM4EHPGDLIPGLPL
SCHEMBL20562906 0.78 HIF1A (0.40) AAK1HIF1ADGAT1LIPGLPL
SCHEMBL20504793 0.78 ALDH1A1 (0.44) AAK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL28341940 0.78 ALOX15 (0.43) AAK1HIF1AHPGDLIPGLPL
SCHEMBL16898038 0.77 AAK1 (0.39) AAK1HIF1ADGAT1LIPGLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 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 (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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 AAK1 1872/4885HIF1A 1195/4885DGAT1 2842/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 AAK1 1872/4885HIF1A 1195/4885DGAT1 2842/4885

“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.