SCHEMBL26117147

SCHEMBL26117147

O=S(=O)(OC1=CC[C@@H](C(F)(F)F)CC1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.32
DRD3 P35462 6/20 0.32
HTR1D P28221 3/20 0.32
CES2 O00748 1/20 0.31
DRD4 P21917 3/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30
AKR1C3 P42330 1/20 0.30
HTR5A P47898 1/20 0.30

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
SCHEMBL4016506 1.00 DRD2 (0.32) DRD2DRD3HTR1DCES2DRD4
SCHEMBL2221698 0.88 CES2 (0.36) DRD2DRD3HTR1DCES2DRD4
SCHEMBL29178381 0.84 CES2 (0.31) CES2
SCHEMBL18392904 0.84 CES2 (0.33) DRD2DRD3HTR1DCES2DRD4
SCHEMBL13132554 0.83 DRD2 (0.33) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL4596459 0.83 DRD2 (0.35) DRD2DRD3HTR1DCES2DRD4
SCHEMBL5234275 0.81 DRD2 (0.34) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL8291680 0.81 DRD2 (0.32) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17802127 0.80 AKR1C3 (0.35) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL1302897 0.78 DRD2 (0.33) DRD2DRD3HTR1DDRD4DRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4496789-A1 TEAD INHIBITORS AND METHODS OF USE Sporos Biodiscovery, Inc. (US) 2025-01-29 EP disclosed
WO-2023183437-A1 TEAD INHIBITORS AND METHODS OF USE SPOROS BIODISCOVERY, INC. (US) 2023-09-28 WO disclosed