SCHEMBL426952

SCHEMBL426952

O=C1COc2ccc(B(O)O)cc2N1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.61
PARP1 P09874 3/20 0.56
ALDH1A1 P00352 6/20 0.55
MAPT P10636 4/20 0.55
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PKM P14618 1/20 0.52
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.48
NR3C2 P08235 2/20 0.47
HPGD P15428 1/20 0.47
SMYD3 Q9H7B4 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
SCHEMBL29754331 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1MAPTKMT2A
SCHEMBL861110 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1MAPTKMT2A
SCHEMBL279594 0.76 MMP12 (1.00) MMP12PARP1ALDH1A1MAPTKMT2A
SCHEMBL277585 0.76 MMP12 (0.65) MMP12PARP1ALDH1A1MAPTKMT2A
SCHEMBL30015279 0.76 MMP12 (0.65) MMP12PARP1ALDH1A1MAPTKMT2A
SCHEMBL4137452 0.76 MMP12 (0.65) MMP12PARP1ALDH1A1MAPTKMT2A
SCHEMBL707058 0.76 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL302933 0.76 MMP12 (0.65) MMP12PARP1ALDH1A1MAPTKMT2A
SCHEMBL8184077 0.76 MMP12 (0.65) MMP12PARP1ALDH1A1MAPTKMT2A
SCHEMBL30343101 0.76 MMP12 (0.65) MMP12PARP1ALDH1A1MAPTKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024016826-A1 6-POSITION SUBSTITUTED DIHYDROBENZO[E][1,2,3]OXATHIAZINE 2,2-DIOXIDE COMPOUND, PREPARATION THEREFOR, AND USE THEREOF 杭州市第七人民医院 2024-01-25 WO claimed
CN-115232090-A 6-substituted dihydrobenzo [ e ] [1,2,3] oxathiazine 2,2-dioxide compound and preparation and application thereof 杭州市第七人民医院 2022-10-25 CN claimed
CN-115232090-B 6-Substituted dihydrobenzo [ e ] [1,2,3] oxathiazine 2, 2-dioxide compound and preparation and application thereof 杭州市第七人民医院 2024-11-19 CN disclosed
WO-2024016826-A1 6-POSITION SUBSTITUTED DIHYDROBENZO[E][1,2,3]OXATHIAZINE 2,2-DIOXIDE COMPOUND, PREPARATION THEREFOR, AND USE THEREOF 杭州市第七人民医院 2024-01-25 WO disclosed
CN-115232090-A 6-substituted dihydrobenzo [ e ] [1,2,3] oxathiazine 2,2-dioxide compound and preparation and application thereof 杭州市第七人民医院 2022-10-25 CN disclosed
EP-3604306-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2020-02-05 EP disclosed
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO 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 (1 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-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 MMP12 1349/4885PARP1 2123/4885ALDH1A1 1128/4885

“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.