SCHEMBL23910329

SCHEMBL23910329

CC(COCc1ccccc1)NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.50
MMP14 P50281 1/20 0.50
MME P08473 1/20 0.49
FOLH1 Q04609 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PPARA Q07869 1/20 0.48
SLC1A1 P43005 1/20 0.48
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
TACR1 P25103 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL16321007 0.87 NPC1 (0.50) MMP9MMP14MMEFOLH1NPC1
SCHEMBL16321006 0.87 NPC1 (0.50) MMP9MMP14MMEFOLH1NPC1
SCHEMBL3848650 0.86 ALDH1A1 (0.49) MMP9NPC1RAB9AMTNR1AMTNR1B
SCHEMBL12019756 0.86 HPGD (0.61) MMP9MMP14NPC1RAB9APPARA
SCHEMBL13753851 0.86 HPGD (0.61) MMP9MMP14NPC1RAB9APPARA
SCHEMBL16633697 0.84 MMP9 (0.49) MMP9MMP14MMEFOLH1NPC1
SCHEMBL20603266 0.84 MMP9 (0.49) MMP9MMP14MMEFOLH1NPC1
SCHEMBL16633700 0.84 MMP9 (0.49) MMP9MMP14MMEFOLH1NPC1
SCHEMBL16758733 0.83 FOLH1 (0.51) MMP9MMP14MMEFOLH1PPARA
SCHEMBL25415515 0.83 TACR1 (0.49) MMP9MMP14MMEFOLH1NPC1

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 MMP9 3662/4885MMP14 4689/4885MME 3743/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 MMP9 3913/4885MMP14 4780/4885MME 3899/4885

“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.