SCHEMBL30868548

SCHEMBL30868548

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3c(=O)nc[nH]c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.41
▸ TEAD1 P28347 2/20 0.38
▸ YAP1 P46937 1/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ SCN9A Q15858 4/20 0.37
▸ TNNI3K Q59H18 4/20 0.37
▸ BRAF P15056 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL24631205 1.00 BRD4 (0.41) BRD4TEAD1YAP1ALOX5APFEN1
SCHEMBL24631171 0.82 BRAF (0.45) BRD4TEAD1YAP1SCN9ABRAF
SCHEMBL30868535 0.82 BRAF (0.45) BRD4TEAD1YAP1SCN9ABRAF
SCHEMBL30868598 0.79 TEAD1 (0.42) BRD4TEAD1YAP1ALOX5APFEN1
SCHEMBL24631413 0.79 TEAD1 (0.42) BRD4TEAD1YAP1ALOX5APFEN1
SCHEMBL30868516 0.77 TRIM24 (0.45) BRD4TEAD1YAP1KMT2A
SCHEMBL27170920 0.77 TRIM24 (0.45) BRD4TEAD1YAP1KMT2A
SCHEMBL24631356 0.76 TNNI3K (0.49) BRD4TEAD1YAP1SCN9ATNNI3K
SCHEMBL30868609 0.76 TNNI3K (0.49) BRD4TEAD1YAP1SCN9ATNNI3K
SCHEMBL24631357 0.76 FEN1 (0.46) BRD4TEAD1YAP1ALOX5APFEN1

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 BRD4 161/4885TEAD1 4/4885YAP1 176/4885

“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.

Send feedback