SCHEMBL23918744

SCHEMBL23918744

CCOC(=O)C1=C(O)C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ADORA1 P30542 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLA P06280 1/20 0.36
USP2 O75604 1/20 0.35
POLB P06746 2/20 0.35
EPHA2 P29317 2/20 0.34
ENPP2 Q13822 1/20 0.34
P2RX3 P56373 3/20 0.33
P2RX2 Q9UBL9 3/20 0.33
TP53 P04637 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL24379670 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1ADORA1SMN1; SMN2
SCHEMBL23918539 0.81 ALDH1A1 (0.42) MEN1KMT2AALDH1A1ADORA1SMN1; SMN2
SCHEMBL24379679 0.80 KMT2A (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL23918398 0.77 POLB (0.50) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL23918385 0.77 GLA (0.39) MEN1KMT2AALDH1A1ADORA1SMN1; SMN2
SCHEMBL23918734 0.76 TP53 (0.43) MEN1KMT2AALDH1A1ADORA1SMN1; SMN2
SCHEMBL23918731 0.75 MEN1 (0.43) MEN1KMT2AALDH1A1ADORA1LMNA
SCHEMBL24379683 0.75 MEN1 (0.43) MEN1KMT2AALDH1A1ADORA1LMNA
SCHEMBL24379692 0.75 ADORA1 (0.40) MEN1KMT2AALDH1A1ADORA1SMN1; SMN2
SCHEMBL28581088 0.74 USP2 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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 MEN1 2887/4885KMT2A 4618/4885ALDH1A1 1120/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 MEN1 3591/4885KMT2A 4670/4885ALDH1A1 1149/4885

“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.