SCHEMBL24946334

SCHEMBL24946334

CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2cc(Cl)c(Cl)cc2O)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.48
RORC P51449 1/20 0.40
TACR1 P25103 2/20 0.40
MC4R P32245 2/20 0.37
ESR2 Q92731 1/20 0.37
CNR1 P21554 1/20 0.36
DPP4 P27487 1/20 0.36
USP30 Q70CQ3 2/20 0.36
NR1H2 P55055 1/20 0.36
ANO1 Q5XXA6 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
SCHEMBL29768413 1.00 PDE4B (0.48) PDE4BRORCTACR1MC4RESR2
SCHEMBL23216432 1.00 PDE4B (0.48) PDE4BRORCTACR1MC4RESR2
SCHEMBL29768419 0.89 PDE4B (0.49) PDE4BRORCTACR1MC4RESR2
SCHEMBL23216936 0.89 PDE4B (0.49) PDE4BRORCTACR1MC4RESR2
SCHEMBL24946333 0.89 PDE4B (0.49) PDE4BRORCTACR1MC4RESR2
SCHEMBL29885822 0.88 PDE4B (0.57) PDE4BRORCTACR1USP30
SCHEMBL23239759 0.88 PDE4B (0.57) PDE4BRORCTACR1USP30
SCHEMBL23216555 0.88 PDE4B (0.57) PDE4BRORCTACR1USP30
SCHEMBL6310349 0.85 DPP4 (0.53) PDE4BRORCTACR1MC4RCNR1
SCHEMBL16780714 0.82 PDE4B (0.48) PDE4BRORCTACR1CNR1USP30

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 1 patent. 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

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 PDE4B 997/4885RORC 2290/4885TACR1 1119/4885

“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.