SCHEMBL30868534

SCHEMBL30868534

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2cncc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 10/20 0.47
▸ SCN9A Q15858 4/20 0.44
▸ ICAM1 P05362 1/20 0.40
▸ SELE P16581 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TEAD1 P28347 1/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 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
SCHEMBL27170903 1.00 CYP17A1 (0.47) CYP17A1SCN9AICAM1SELEL3MBTL1
SCHEMBL27170906 0.89 SCN9A (0.47) SCN9A
SCHEMBL30868558 0.89 SCN9A (0.47) SCN9A
SCHEMBL30868536 0.78 ICAM1 (0.39) SCN9AICAM1SELETEAD1YAP1
SCHEMBL27170919 0.78 BRD4 (0.39) TEAD1YAP1
SCHEMBL24631284 0.78 ICAM1 (0.39) SCN9AICAM1SELETEAD1YAP1
SCHEMBL30868593 0.78 BRD4 (0.39) TEAD1YAP1
SCHEMBL27170917 0.77 BRD4 (0.45) L3MBTL1
SCHEMBL30868540 0.77 BRD4 (0.45) L3MBTL1
SCHEMBL24631290 0.76 PTPN2 (0.52) TEAD1YAP1

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 CYP17A1 352/4885SCN9A 353/4885ICAM1 4668/4885

“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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