SCHEMBL30868598

SCHEMBL30868598

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3nccnc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.42
▸ YAP1 P46937 1/20 0.42
▸ SCN9A Q15858 12/20 0.41
▸ TNNI3K Q59H18 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 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
SCHEMBL24631413 1.00 TEAD1 (0.42) TEAD1YAP1SCN9ATNNI3KMEN1
SCHEMBL24631193 0.89 TNNI3K (0.43) TEAD1YAP1SCN9ATNNI3KMEN1
SCHEMBL30868500 0.89 TNNI3K (0.43) TEAD1YAP1SCN9ATNNI3KMEN1
SCHEMBL30868602 0.89 TRPV1 (0.46) TEAD1YAP1SCN9ATNNI3KMEN1
SCHEMBL24631201 0.89 TRPV1 (0.46) TEAD1YAP1SCN9ATNNI3KMEN1
SCHEMBL30868586 0.85 ALOX5AP (0.42) TEAD1YAP1SCN9ATNNI3KMEN1
SCHEMBL27170913 0.85 ALOX5AP (0.42) TEAD1YAP1SCN9ATNNI3KMEN1
SCHEMBL24631203 0.83 BRD4 (0.39) TEAD1YAP1SCN9AMEN1ALOX15
SCHEMBL30868590 0.83 BRD4 (0.39) TEAD1YAP1SCN9AMEN1ALOX15
SCHEMBL24631191 0.83 LCK (0.45) TEAD1YAP1SCN9A

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 TEAD1 4/4885YAP1 176/4885SCN9A 353/4885

“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