SCHEMBL23214916

SCHEMBL23214916

COc1cc(Cl)c(Cl)cc1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 10/20 0.53
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.45
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PDE4B Q07343 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL29745265 1.00 STS (0.53) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL23215213 0.88 STS (0.49) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL29745470 0.88 STS (0.49) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL23216511 0.87 STS (0.47) STSHPGDEPHX2PDE4B
SCHEMBL23215405 0.85 STS (0.47) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL29745323 0.85 STS (0.47) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL23215404 0.85 STS (0.47) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL23215890 0.85 STS (0.54) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL23214941 0.84 STS (0.46) STSPTPN2PTPN1PTPN6HPGD
SCHEMBL23215646 0.84 MGLL (0.49) MGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 STS 706/4885PTPN2 1498/4885PTPN1 1331/4885

“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.