SCHEMBL20564345

SCHEMBL20564345

CCOc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC)c1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.38
DGAT1 O75907 1/20 0.37
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
UCHL1 P09936 1/20 0.34
TP53 P04637 1/20 0.34
CSF1R P07333 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33

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
SCHEMBL22491269 0.91 CSF1R (0.38) HIF1AGAADGAT1ALDH1A1CSF1R
SCHEMBL20562145 0.89 GAA (0.38) HIF1ATSHRMAPK1GAADGAT1
SCHEMBL23162299 0.83 CYP3A4 (0.40) HIF1AGAADGAT1HTTCSF1R
SCHEMBL28959853 0.82 CSF1R (0.34) HIF1ADGAT1HTTCSF1R
SCHEMBL23162278 0.82 AAK1 (0.39) HIF1AMAPK1GAADGAT1KMT2A
SCHEMBL22726537 0.81 NR1I2 (0.37) HIF1ATSHRMAPK1GAADGAT1
SCHEMBL18241400 0.80 TDP1 (0.39) HIF1ATSHRMAPK1GAADGAT1
SCHEMBL424243 0.80 TDP1 (0.52) HIF1ATSHRDGAT1KMT2ATDP1
SCHEMBL20505519 0.78 HIF1A (0.35) HIF1ATSHRDGAT1GSK3AGSK3B
SCHEMBL20504692 0.78 HIF1A (0.36) HIF1ATSHRDGAT1GSK3AGSK3B

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 HIF1A 1195/4885TSHR 654/4885MAPK1 1894/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 HIF1A 1195/4885TSHR 654/4885MAPK1 1894/4885

“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.