SCHEMBL23910261

SCHEMBL23910261

CCOC(=O)C1=C(O)C(=O)N(C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LIPG Q9Y5X9 7/20 0.43
CASP3 P42574 4/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP1A2 P05177 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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
SCHEMBL30667765 0.84 ESR1 (0.46) KDM4EMEN1KMT2AALDH1A1LIPG
SCHEMBL29428200 0.81 ALDH1A1 (0.48) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL23910446 0.80 LIPG (0.46) LIPG
SCHEMBL23509267 0.79 ALDH1A1 (0.44) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL23918723 0.79 ALDH1A1 (0.44) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL9206916 0.79 ALDH1A1 (0.48) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL23910338 0.76 ALDH1A1 (0.43) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL23910322 0.76 ALDH1A1 (0.43) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL23910320 0.76 ALDH1A1 (0.43) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL23918388 0.76 ALDH1A1 (0.53) KMT2AALDH1A1LIPGCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111527090-B Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors 拜耳公司 2023-05-26 CN disclosed
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
EP-3700907-B1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AG (DE) 2022-03-09 EP disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
CN-111527090-A Novel pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors 拜耳公司 2020-08-11 CN 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-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors P2RX3, P2RX1, P2RX5 KDM4E 3924/4885MEN1 2887/4885KMT2A 4618/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 KDM4E 3993/4885MEN1 3591/4885KMT2A 4670/4885

“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.