SCHEMBL23918539

SCHEMBL23918539

CCOC(=O)C1=C(O)C(=O)N(CC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FPR2 P25090 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
TP53 P04637 2/20 0.40
KDM4E B2RXH2 3/20 0.40
PKM P14618 1/20 0.40
ADORA1 P30542 1/20 0.39
POLB P06746 1/20 0.39
BACE1 P56817 1/20 0.38
EED O75530 1/20 0.38
RBBP4 Q09028 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38
AEBP2 Q6ZN18 1/20 0.38

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 0.94 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AFPR2LMNA
SCHEMBL23918383 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL24379683 0.81 MEN1 (0.43) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL23918731 0.81 MEN1 (0.43) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL23918744 0.81 MEN1 (0.39) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL23918734 0.80 TP53 (0.43) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL23918716 0.78 MEN1 (0.42) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL23918385 0.77 GLA (0.39) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL24379692 0.77 ADORA1 (0.40) ALDH1A1MEN1KMT2AFPR2LMNA
SCHEMBL30604610 0.75 HPGD (0.45) ALDH1A1MEN1KMT2AFPR2LMNA

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 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.