SCHEMBL30868535

SCHEMBL30868535

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3[nH]c(=O)[nH]c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.45
▸ TAS2R14 Q9NYV8 1/20 0.44
▸ BRD4 O60885 2/20 0.42
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TEAD1 P28347 1/20 0.38
▸ YAP1 P46937 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL24631171 1.00 BRAF (0.45) BRAFTAS2R14BRD4SLC6A2SLC6A3
SCHEMBL30868548 0.82 BRD4 (0.41) BRAFBRD4MEN1MAPK1KMT2A
SCHEMBL24631205 0.82 BRD4 (0.41) BRAFBRD4MEN1MAPK1KMT2A
SCHEMBL30868516 0.82 TRIM24 (0.45) BRD4KMT2ASMN1; SMN2TEAD1YAP1
SCHEMBL27170920 0.82 TRIM24 (0.45) BRD4KMT2ASMN1; SMN2TEAD1YAP1
SCHEMBL30868613 0.79 KIF11 (0.45) BRD4SCN9APKM
SCHEMBL24631163 0.79 KIF11 (0.45) BRD4SCN9APKM
SCHEMBL24631413 0.79 TEAD1 (0.42) BRD4MEN1MAPK1KMT2AALOX15
SCHEMBL30868598 0.79 TEAD1 (0.42) BRD4MEN1MAPK1KMT2AALOX15
SCHEMBL24631203 0.79 BRD4 (0.39) BRD4MEN1MAPK1KMT2AALOX15

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 BRAF 2621/4885TAS2R14 1294/4885BRD4 161/4885

“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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