SCHEMBL23216511

SCHEMBL23216511

COc1cc(Cl)c(Cl)cc1C(=O)C1CCN(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STS P08842 10/20 0.47
EPHX2 P34913 2/20 0.42
PDE4B Q07343 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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 0.87 STS (0.53) STSEPHX2PDE4BHPGD
SCHEMBL23214916 0.87 STS (0.53) STSEPHX2PDE4BHPGD
SCHEMBL29745470 0.77 STS (0.49) STSEPHX2PDE4BMEN1KMT2A
SCHEMBL23215213 0.77 STS (0.49) STSEPHX2PDE4BMEN1KMT2A
SCHEMBL23216859 0.75 STS (0.39) STSEPHX2PDE4BMEN1KMT2A
SCHEMBL29886073 0.75 STS (0.39) STSEPHX2PDE4BMEN1KMT2A
SCHEMBL23215646 0.74 MGLL (0.49) LMNAKMT2ASMN1; SMN2POLB
SCHEMBL29745184 0.74 MGLL (0.49) LMNAKMT2ASMN1; SMN2POLB
SCHEMBL23215404 0.74 STS (0.47) STSEPHX2PDE4BMEN1KMT2A
SCHEMBL23215405 0.74 STS (0.47) STSEPHX2PDE4BMEN1KMT2A

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 5 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
EP-4041229-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP 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 706/4885EPHX2 4505/4885PDE4B 1668/4885

“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.