SCHEMBL23918370

SCHEMBL23918370

CCOC(=O)C1=C(O)C(=O)N(CC2CCOC2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 8/20 0.35
TSHR P16473 1/20 0.35
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
PIK3CA P42336 1/20 0.33
CCR1 P32246 1/20 0.33
POLB P06746 1/20 0.33
LIPG Q9Y5X9 2/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL23918716 0.93 MEN1 (0.42) ALDH1A1MEN1KMT2ACASP3TSHR
SCHEMBL23918383 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACASP3TSHR
SCHEMBL24379679 0.81 KMT2A (0.43) ALDH1A1MEN1KMT2ACASP3TSHR
SCHEMBL24379691 0.79 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACASP3TSHR
SCHEMBL23918753 0.79 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACASP3TSHR
SCHEMBL23918398 0.79 POLB (0.50) ALDH1A1MEN1KMT2ATSHRFEN1
SCHEMBL29428200 0.76 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACASP3TSHR
SCHEMBL24379693 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACASP3TSHR
SCHEMBL23918389 0.74 LIPG (0.46) ALDH1A1MEN1KMT2ATSHRPIK3CA
SCHEMBL23918394 0.73 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACASP3TSHR

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 2 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
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 ALDH1A1 1120/4885MEN1 2887/4885KMT2A 4618/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 ALDH1A1 1149/4885MEN1 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.