SCHEMBL30868590

SCHEMBL30868590

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3nc(C)ccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.39
▸ TEAD1 P28347 1/20 0.38
▸ YAP1 P46937 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SCN9A Q15858 5/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ UTRN P46939 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ PLAT P00750 1/20 0.36

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
SCHEMBL24631203 1.00 BRD4 (0.39) BRD4TEAD1YAP1SLC6A4SCN9A
SCHEMBL24631406 0.89 SCN9A (0.41) BRD4TEAD1YAP1SCN9AMEN1
SCHEMBL30868606 0.89 SCN9A (0.41) BRD4TEAD1YAP1SCN9AMEN1
SCHEMBL30868587 0.86 MEN1 (0.43) BRD4TEAD1YAP1SCN9AMEN1
SCHEMBL24631316 0.86 MEN1 (0.43) BRD4TEAD1YAP1SCN9AMEN1
SCHEMBL24631191 0.84 LCK (0.45) TEAD1YAP1SCN9A
SCHEMBL30868579 0.84 LCK (0.45) TEAD1YAP1SCN9A
SCHEMBL24631413 0.83 TEAD1 (0.42) BRD4TEAD1YAP1SCN9AMEN1
SCHEMBL30868598 0.83 TEAD1 (0.42) BRD4TEAD1YAP1SCN9AMEN1
SCHEMBL24631116 0.83 MEN1 (0.39) BRD4TEAD1YAP1SCN9AMEN1

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.

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