SCHEMBL24631357

SCHEMBL24631357

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2cnc3[nH]ccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 4/20 0.46
▸ ALOX5AP P20292 3/20 0.46
▸ CDK8 P49336 3/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ TNNI3K Q59H18 3/20 0.42
▸ TEAD1 P28347 1/20 0.42
▸ YAP1 P46937 1/20 0.42
▸ NTRK1 P04629 1/20 0.41
▸ FLT3 P36888 2/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39

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
SCHEMBL30868564 1.00 FEN1 (0.46) FEN1ALOX5APCDK8BRD4TNNI3K
SCHEMBL24631356 0.80 TNNI3K (0.49) BRD4TNNI3KTEAD1YAP1SCN9A
SCHEMBL30868609 0.80 TNNI3K (0.49) BRD4TNNI3KTEAD1YAP1SCN9A
SCHEMBL30868500 0.80 TNNI3K (0.43) TNNI3KTEAD1YAP1SCN9AMEN1
SCHEMBL24631193 0.80 TNNI3K (0.43) TNNI3KTEAD1YAP1SCN9AMEN1
SCHEMBL30868540 0.79 BRD4 (0.45) BRD4TNNI3KMEN1ALOX15MAPK1
SCHEMBL27170917 0.79 BRD4 (0.45) BRD4TNNI3KMEN1ALOX15MAPK1
SCHEMBL24631191 0.78 LCK (0.45) TEAD1YAP1SCN9A
SCHEMBL30868579 0.78 LCK (0.45) TEAD1YAP1SCN9A
SCHEMBL24631270 0.77 TRPA1 (0.44) BRD4TEAD1YAP1SCN9A

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 2 patents. 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
WO-2022177869-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2022-08-25 — — 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-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS TEAD2, TEAD3, TEAD4 FEN1 4715/4885ALOX5AP 1957/4885CDK8 1772/4885

“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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