SCHEMBL22980372

SCHEMBL22980372

O=S(=O)(Nc1c(F)cc(C#Cc2ccccc2)cc1F)c1cccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.54
PTGES2 Q9H7Z7 7/20 0.51
PGR P06401 1/20 0.47
CCR4 P51679 6/20 0.46
FSCN1 Q16658 1/20 0.43
MAP3K20 Q9NYL2 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL29434884 1.00 ACLY (0.54) ACLYPTGES2PGRCCR4FSCN1
SCHEMBL22980551 0.91 CCR4 (0.44) ACLYPTGES2PGRCCR4ALDH1A1
SCHEMBL29434866 0.91 CCR4 (0.44) ACLYPTGES2PGRCCR4ALDH1A1
SCHEMBL29434842 0.91 SLC22A12 (0.44) ACLYPTGES2PGRMAP3K20ALDH1A1
SCHEMBL22981705 0.91 SLC22A12 (0.44) ACLYPTGES2PGRMAP3K20ALDH1A1
SCHEMBL22980371 0.90 ACLY (0.54) ACLYPTGES2CCR4MAP3K20
SCHEMBL22980994 0.89 HSD11B1 (0.47) ACLYPTGES2CCR4
SCHEMBL22980349 0.89 ACLY (0.42) ACLYPTGES2ALDH1A1
SCHEMBL29434836 0.89 ACLY (0.42) ACLYPTGES2ALDH1A1
SCHEMBL22980348 0.86 MCL1 (0.41) ACLYPTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013495-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. Hoffmann-La Roche AG (CH) 2022-06-22 EP claimed
CN-114174266-A Arylsulfonamide derivatives as MGLUR4 negative allosteric modulators 豪夫迈·罗氏有限公司 2022-03-11 CN claimed
WO-2021028512-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2021-02-18 WO claimed
EP-4013495-B1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2023-09-27 EP disclosed
EP-4013495-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. Hoffmann-La Roche AG (CH) 2022-06-22 EP disclosed
US-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
CN-114174266-A Arylsulfonamide derivatives as MGLUR4 negative allosteric modulators 豪夫迈·罗氏有限公司 2022-03-11 CN disclosed
WO-2021028512-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2021-02-18 WO disclosed
WO-2021028512-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2021-02-18 WO 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-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES ARSA, SULT1E1, STS ACLY 943/4885PTGES2 4104/4885PGR 1770/4885

“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.