SCHEMBL30868558

SCHEMBL30868558

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc3cnccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 15/20 0.47
▸ SCN5A Q14524 4/20 0.42
▸ TRPV1 Q8NER1 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ BRD4 O60885 1/20 0.40

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
SCHEMBL27170906 1.00 SCN9A (0.47) SCN9ASCN5ATRPV1EPHX2BRD4
SCHEMBL27170903 0.89 CYP17A1 (0.47) SCN9A
SCHEMBL30868534 0.89 CYP17A1 (0.47) SCN9A
SCHEMBL30868540 0.79 BRD4 (0.45) BRD4
SCHEMBL27170917 0.79 BRD4 (0.45) BRD4
SCHEMBL24631356 0.79 TNNI3K (0.49) SCN9ASCN5ABRD4
SCHEMBL30868609 0.79 TNNI3K (0.49) SCN9ASCN5ABRD4
SCHEMBL22559254 0.77 L3MBTL1 (0.48) SCN9ASCN5A
SCHEMBL29754996 0.77 L3MBTL1 (0.48) SCN9ASCN5A
SCHEMBL30868560 0.76 BRAF (0.38) SCN9ABRD4

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-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2024-03-14 — — 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-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS TEAD2, TEAD3, TEAD4 SCN9A 353/4885SCN5A 227/4885TRPV1 90/4885

“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.

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