SCHEMBL22482233

SCHEMBL22482233

CC(C)(C)OC(=O)N1CCc2snc(C(=O)O)c2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
P2RX3 P56373 1/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
GRAMD1A Q96CP6 1/20 0.38
SCN9A Q15858 1/20 0.38
MKNK1 Q9BUB5 4/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL22482028 0.84 ADORA1 (0.56) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL10413878 0.84 ADORA1 (0.48) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL22482231 0.80 ADORA1 (0.45) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL22482230 0.79 ADORA1 (0.39) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL22482286 0.78 ADORA1 (0.37) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL6425010 0.74 ADORA1 (0.55) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL27244463 0.74 ADORA1 (0.46) ADORA1ESR2NR1H2MAPTP2RX3
SCHEMBL2576275 0.74 ADORA1 (0.46) ADORA1ESR2NR1H2MAPTUSP2
SCHEMBL4792110 0.74 ADORA1 (0.46) ADORA1ESR2NR1H2MAPK1
SCHEMBL4091052 0.73 ADORA1 (0.82) ADORA1ESR2NR1H2MAPTKDM4E

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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 ADORA1 3877/4885ESR2 1630/4885NR1H2 1720/4885

“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.