SCHEMBL22980371

SCHEMBL22980371

O=S(=O)(Nc1c(F)cc(C#Cc2ccccc2)cc1F)c1cccc(Cl)c1F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.54
PTGES2 Q9H7Z7 2/20 0.51
CCR2 P41597 4/20 0.50
SLC40A1 Q9NP59 1/20 0.44
CCR4 P51679 1/20 0.43
BRD4 O60885 1/20 0.41
KIT P10721 1/20 0.41
KAT6A Q92794 1/20 0.41
MAP3K20 Q9NYL2 2/20 0.40
PTK2B Q14289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL22981705 0.91 SLC22A12 (0.44) ACLYPTGES2MAP3K20PTK2BSMN1; SMN2
SCHEMBL29434842 0.91 SLC22A12 (0.44) ACLYPTGES2MAP3K20PTK2BSMN1; SMN2
SCHEMBL29434884 0.90 ACLY (0.54) ACLYPTGES2CCR4MAP3K20
SCHEMBL22980372 0.90 ACLY (0.54) ACLYPTGES2CCR4MAP3K20
SCHEMBL22980994 0.89 HSD11B1 (0.47) ACLYPTGES2CCR2SLC40A1CCR4
SCHEMBL22980551 0.86 CCR4 (0.44) ACLYPTGES2CCR2CCR4SMN1; SMN2
SCHEMBL29434866 0.86 CCR4 (0.44) ACLYPTGES2CCR2CCR4SMN1; SMN2
SCHEMBL22980348 0.86 MCL1 (0.41) ACLYPTGES2CCR2PTK2BSMN1; SMN2
SCHEMBL22980536 0.84 ALDH1A1 (0.47) ACLYKAT6ASMN1; SMN2
SCHEMBL29666106 0.84 ALDH1A1 (0.47) ACLYKAT6ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065399-B2 Arylsulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2024-08-20 US claimed
EP-4013495-B1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2023-09-27 EP claimed
EP-4013495-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. Hoffmann-La Roche AG (CH) 2022-06-22 EP claimed
US-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US 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
US-12065399-B2 Arylsulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2024-08-20 US disclosed
EP-4013495-B1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2023-09-27 EP disclosed
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
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 (2 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 4104/4885CCR2 1154/4885
US-12065399-B2 Arylsulfonamide derivatives ARSA, SULT1E1, STS ACLY 943/4885PTGES2 4104/4885CCR2 1154/4885

“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.