SCHEMBL27170913

SCHEMBL27170913

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3scnc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ SCN9A Q15858 11/20 0.40
▸ TEAD1 P28347 1/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ TNNI3K Q59H18 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ SLC6A4 P31645 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL30868586 1.00 ALOX5AP (0.42) ALOX5APFEN1SCN9ATEAD1YAP1
SCHEMBL24631413 0.85 TEAD1 (0.42) ALOX5APFEN1SCN9ATEAD1YAP1
SCHEMBL30868598 0.85 TEAD1 (0.42) ALOX5APFEN1SCN9ATEAD1YAP1
SCHEMBL30868602 0.81 TRPV1 (0.46) SCN9ATEAD1YAP1TNNI3KBRD4
SCHEMBL24631201 0.81 TRPV1 (0.46) SCN9ATEAD1YAP1TNNI3KBRD4
SCHEMBL30868579 0.80 LCK (0.45) SCN9ATEAD1YAP1
SCHEMBL24631191 0.80 LCK (0.45) SCN9ATEAD1YAP1
SCHEMBL24631203 0.79 BRD4 (0.39) SCN9ATEAD1YAP1SLC6A4BRD4
SCHEMBL30868590 0.79 BRD4 (0.39) SCN9ATEAD1YAP1SLC6A4BRD4
SCHEMBL24631116 0.78 MEN1 (0.39) SCN9ATEAD1YAP1TNNI3KBRD4

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 ALOX5AP 1957/4885FEN1 4715/4885SCN9A 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.

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