SCHEMBL23918389

SCHEMBL23918389

CCOC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PIK3CA P42336 1/20 0.39
PKM P14618 1/20 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
SCHEMBL6077535 0.81 LIPG (0.51) LIPGALDH1A1KMT2AATMPARP1
SCHEMBL29428200 0.79 ALDH1A1 (0.48) LIPGALDH1A1MEN1KMT2ATSHR
SCHEMBL9206916 0.79 ALDH1A1 (0.48) LIPGALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23918723 0.79 ALDH1A1 (0.44) LIPGALDH1A1MEN1KMT2APARP1
SCHEMBL23918716 0.79 MEN1 (0.42) LIPGALDH1A1MEN1KMT2APOLB
SCHEMBL24379671 0.76 HTT (0.43) LIPGALDH1A1MEN1KMT2APARP1
SCHEMBL6078915 0.75 LIPG (0.48) LIPGALDH1A1MEN1KMT2APOLB
SCHEMBL24379679 0.74 KMT2A (0.43) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL23910261 0.74 KDM4E (0.44) LIPGALDH1A1MEN1KMT2AKDM4E
SCHEMBL23918370 0.74 ALDH1A1 (0.41) LIPGALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 LIPG 3939/4885ALDH1A1 1120/4885MEN1 2887/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 LIPG 3950/4885ALDH1A1 1149/4885MEN1 3591/4885

“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.