SCHEMBL24379679

SCHEMBL24379679

CCOC(=O)C1=C(O)C(=O)N(CC2CCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
POLB P06746 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 4/20 0.41
FEN1 P39748 1/20 0.41
CASP3 P42574 5/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
CCR1 P32246 1/20 0.34

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
SCHEMBL23918398 0.94 POLB (0.50) KMT2APOLBMEN1ALDH1A1FEN1
SCHEMBL23918383 0.84 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1CASP3TSHR
SCHEMBL23918716 0.84 MEN1 (0.42) KMT2APOLBMEN1ALDH1A1CASP3
SCHEMBL29428315 0.83 ALDH1A1 (0.41) KMT2APOLBMEN1ALDH1A1FEN1
SCHEMBL29428378 0.83 ALDH1A1 (0.41) KMT2APOLBMEN1ALDH1A1FEN1
SCHEMBL23918370 0.81 ALDH1A1 (0.41) KMT2APOLBMEN1ALDH1A1FEN1
SCHEMBL23918744 0.80 MEN1 (0.39) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL29428200 0.79 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1CASP3TSHR
SCHEMBL23918386 0.74 FEN1 (0.39) KMT2APOLBMEN1ALDH1A1FEN1
SCHEMBL23918389 0.74 LIPG (0.46) KMT2APOLBMEN1ALDH1A1TSHR

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KMT2A 4618/4885POLB 2313/4885MEN1 2887/4885

“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.