SCHEMBL20564342

SCHEMBL20564342

COC(=O)c1cc2ccc(Br)c(C)c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HDAC1 Q13547 5/20 0.44
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
KDM4E B2RXH2 6/20 0.44
MAPT P10636 4/20 0.44
PTPN2 P17706 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.40
ATM Q13315 3/20 0.39
RAB9A P51151 3/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL20563452 0.86 HDAC3 (0.44) ALDH1A1HDAC1HDAC3HDAC4HDAC7
SCHEMBL17842906 0.84 MAPT (0.52) HPGDALDH1A1HDAC1HDAC3HDAC4
SCHEMBL17842958 0.84 HDAC1 (0.54) HPGDALDH1A1HDAC1HDAC3HDAC4
SCHEMBL17858512 0.82 HDAC1 (0.51) HPGDALDH1A1HDAC1HDAC3HDAC4
SCHEMBL17858505 0.82 HDAC1 (0.48) HPGDALDH1A1HDAC1HDAC3HDAC4
SCHEMBL17858544 0.82 CHRNA7 (0.49) HPGDALDH1A1HDAC1HDAC3HDAC4
SCHEMBL1091054 0.80 HPGD (0.54) HPGDALDH1A1HDAC1HDAC3HDAC4
SCHEMBL12135685 0.77 XDH (0.49) HPGDALDH1A1HDAC1HDAC3HDAC4
SCHEMBL21417222 0.76 MAPT (0.53) HPGDALDH1A1HDAC1HDAC3HDAC4
SCHEMBL31370833 0.76 CSNK2A2 (0.44) HPGDALDH1A1HDAC1HDAC3HDAC4

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 HPGD 135/4885ALDH1A1 468/4885HDAC1 3027/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 HPGD 135/4885ALDH1A1 468/4885HDAC1 3027/4885

“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.