SCHEMBL22980259

SCHEMBL22980259

Cc1c(Cl)cc(F)cc1S(=O)(=O)Nc1c(F)cc(C#Cc2cncc(F)c2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.34
NMT1 P30419 1/20 0.33
GRM5 P41594 2/20 0.32
PIK3C3 Q8NEB9 4/20 0.32
ACLY P53396 1/20 0.31
MAP3K20 Q9NYL2 2/20 0.31
MCL1 Q07820 1/20 0.31
ALPL P05186 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
IDH1 O75874 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
SCHEMBL29434779 1.00 PIK3CA (0.34) PIK3CANMT1GRM5PIK3C3ACLY
SCHEMBL29673452 0.92 THRB (0.34) PIK3CANMT1GRM5PIK3C3ACLY
SCHEMBL22980315 0.92 THRB (0.34) PIK3CANMT1GRM5PIK3C3ACLY
SCHEMBL22980440 0.87 HSD11B1 (0.45) MAP3K20
SCHEMBL29434864 0.87 HSD11B1 (0.45) MAP3K20
Trifluoroacetic Acid SCHEMBL22980528 0.85 ACLY (0.34) PIK3CAPIK3C3ACLYALPL
SCHEMBL22980450 0.85 PIK3CA (0.35) PIK3CAGRM5PIK3C3ALPLCHRNB2
SCHEMBL29434829 0.85 PIK3CA (0.35) PIK3CAGRM5PIK3C3ALPLCHRNB2
SCHEMBL22980302 0.83 MAP3K20 (0.44) PIK3CAMAP3K20MCL1
SCHEMBL29434859 0.83 MAP3K20 (0.44) PIK3CAMAP3K20MCL1

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 13 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-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

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 PIK3CA 1815/4885NMT1 2015/4885GRM5 4194/4885
US-12065399-B2 Arylsulfonamide derivatives ARSA, SULT1E1, STS PIK3CA 1815/4885NMT1 2015/4885GRM5 4194/4885

“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.