SCHEMBL23216859

SCHEMBL23216859

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Oc2cc(Cl)c(Cl)c(Cl)c2C2CCN(S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)C3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.39
PDE4B Q07343 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
EPHX2 P34913 2/20 0.37
GPR119 Q8TDV5 8/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL29886073 1.00 STS (0.39) STSPDE4BKDM4EMAPTTHRB
SCHEMBL23216700 0.88 STS (0.40) STSPDE4BKDM4EMAPTTHRB
SCHEMBL29885982 0.88 STS (0.40) STSPDE4BKDM4EMAPTTHRB
SCHEMBL29886099 0.78 MAPT (0.49) STSPDE4BKDM4EMAPTTHRB
SCHEMBL23214988 0.78 MAPT (0.49) STSPDE4BKDM4EMAPTTHRB
SCHEMBL23216511 0.75 STS (0.47) STSPDE4BEPHX2MEN1KMT2A
SCHEMBL56449 0.72 HPGD (0.51) STSMAPTGPR119MEN1KMT2A
SCHEMBL23153250 0.72 TP53 (0.47) PDE4BGPR119
SCHEMBL23239263 0.71 HPGD (0.49) STSPDE4BKDM4EMAPTTHRB
SCHEMBL29768471 0.71 HPGD (0.49) STSPDE4BKDM4EMAPTTHRB

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-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 US disclosed
EP-4041407-A1 ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
WO-2021071802-A1 ARYL 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-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNA3, KCNH2, KCNJ2 STS 573/4885PDE4B 997/4885KDM4E 458/4885

“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.