SCHEMBL31745596

SCHEMBL31745596

O=C1c2cc(Oc3ccc(C(F)(F)F)cc3)ccc2CCN1c1cccc(S(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
SCN9A Q15858 5/20 0.37
DRD2 P14416 1/20 0.36
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
AOC3 Q16853 2/20 0.33
MAP3K5 Q99683 1/20 0.33
FDFT1 P37268 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
SRD5A1 P18405 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL31027291 0.91 DRD2 (0.38) KIF11SCN9ADRD2SCN7AKCNH2
SCHEMBL31745705 0.85 DRD2 (0.39) KIF11SCN9ADRD2SCN7AKCNH2
SCHEMBL31745688 0.85 SCN9A (0.34) KIF11SCN9ADRD2SCN7AKCNH2
SCHEMBL31745570 0.82 AOC3 (0.36) KIF11SCN9ADRD2SCN7AKCNH2
SCHEMBL31745659 0.82 DRD2 (0.40) KIF11SCN9ADRD2SCN7AKCNH2
SCHEMBL31745589 0.80 ROCK1 (0.37) SCN9ADRD2KCNH2AOC3GPR52
SCHEMBL31745588 0.77 EPHB4 (0.39) SCN9ASCN7AKCNH2
SCHEMBL31745664 0.77 ROCK1 (0.38) SCN9ADRD2AOC3GPR52SRD5A1
SCHEMBL31745597 0.76 DRD2 (0.45) KIF11SCN9ADRD2AOC3MAOA
SCHEMBL31745616 0.75 MAPK14 (0.39) KIF11SCN9ADRD2MAPK14

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-20250382279-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-12-18 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-20250382279-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR YAP1, YES1, LATS1 KIF11 622/4885SCN9A 915/4885DRD2 998/4885

“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.