SCHEMBL30868500

SCHEMBL30868500

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2cnc3cccnc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 2/20 0.43
▸ TEAD1 P28347 1/20 0.42
▸ YAP1 P46937 1/20 0.42
▸ SCN9A Q15858 11/20 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
▸ CLK1 P49759 1/20 0.38
▸ MAPT P10636 1/20 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
SCHEMBL24631193 1.00 TNNI3K (0.43) TNNI3KTEAD1YAP1SCN9AMEN1
SCHEMBL24631413 0.89 TEAD1 (0.42) TNNI3KTEAD1YAP1SCN9AMEN1
SCHEMBL30868598 0.89 TEAD1 (0.42) TNNI3KTEAD1YAP1SCN9AMEN1
SCHEMBL24631201 0.87 TRPV1 (0.46) TNNI3KTEAD1YAP1SCN9AMEN1
SCHEMBL30868602 0.87 TRPV1 (0.46) TNNI3KTEAD1YAP1SCN9AMEN1
SCHEMBL24631282 0.80 LMNA (0.43) TEAD1YAP1SCN9AMEN1MAPK1
SCHEMBL30868564 0.80 FEN1 (0.46) TNNI3KTEAD1YAP1SCN9AMEN1
SCHEMBL24631357 0.80 FEN1 (0.46) TNNI3KTEAD1YAP1SCN9AMEN1
SCHEMBL30868586 0.78 ALOX5AP (0.42) TNNI3KTEAD1YAP1SCN9AMEN1
SCHEMBL27170913 0.78 ALOX5AP (0.42) TNNI3KTEAD1YAP1SCN9AMEN1

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 TNNI3K 2098/4885TEAD1 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.

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