SCHEMBL18512243

SCHEMBL18512243

O=C(O)C(O)c1cccc(Br)c1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.45
CES1 P23141 5/20 0.45
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
ALB P02768 1/20 0.32
GLS O94925 1/20 0.32
HTT P42858 2/20 0.32
PRNP P04156 1/20 0.31

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
SCHEMBL26669676 1.00 CES2 (0.45) CES2CES1LMNAMAPK1POLB
SCHEMBL5740566 0.83 SRC (0.39) CES2CES1KMT2AHTTPRNP
SCHEMBL23972274 0.81 CES2 (0.66) CES2CES1LMNAMAPK1POLB
SCHEMBL1668559 0.81 CES2 (0.66) CES2CES1LMNAMAPK1POLB
SCHEMBL1668558 0.81 CES2 (0.66) CES2CES1LMNAMAPK1POLB
SCHEMBL31407025 0.81 CES2 (0.66) CES2CES1LMNAMAPK1POLB
SCHEMBL31407017 0.81 CES2 (0.66) CES2CES1LMNAMAPK1POLB
SCHEMBL196782 0.80 LMNA (0.52) CES2CES1LMNAMAPK1POLB
SCHEMBL30670484 0.80 LMNA (0.52) CES2CES1LMNAMAPK1POLB
SCHEMBL196781 0.80 LMNA (0.52) CES2CES1LMNAMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4142874-B1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2026-04-22 EP disclosed
CN-115427409-B Pyrimidine-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2025-02-25 CN disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
EP-4142874-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RaQualia Pharma Inc. (JP) 2023-03-08 EP disclosed
CN-115427409-A Pyrimidin-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2022-12-02 CN disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L CES2 4361/4885CES1 3629/4885LMNA 2206/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 CES2 4819/4885CES1 4452/4885LMNA 4199/4885

“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.