SCHEMBL23918385

SCHEMBL23918385

CCOC(=O)C1=C(O)C(=O)N(C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 2/20 0.36
IL1B P01584 1/20 0.35
P2RX7 Q99572 1/20 0.35
ADORA1 P30542 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RECQL P46063 1/20 0.31
CASP3 P42574 1/20 0.31
PDK1 Q15118 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL24379683 0.85 MEN1 (0.43) GLAALDH1A1MEN1KMT2AATM
SCHEMBL23918731 0.85 MEN1 (0.43) GLAALDH1A1MEN1KMT2AATM
SCHEMBL23918744 0.77 MEN1 (0.39) GLAALDH1A1MEN1KMT2AADORA1
SCHEMBL23918539 0.77 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AADORA1SMN1; SMN2
SCHEMBL24379670 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AADORA1SMN1; SMN2
SCHEMBL23918370 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL2878794 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMSMN1; SMN2
SCHEMBL13093519 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMSMN1; SMN2
SCHEMBL2878553 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMSMN1; SMN2
SCHEMBL14417217 0.72 USP2 (0.49) ALDH1A1ATMIL1BP2RX7SMN1; SMN2

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 GLA 4384/4885ALDH1A1 1120/4885MEN1 2887/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 GLA 4480/4885ALDH1A1 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.