SCHEMBL29434829

SCHEMBL29434829

Cc1cc(F)c(C)c(S(=O)(=O)Nc2c(F)cc(C#Cc3cncc(F)c3)cc2F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.35
GRM5 P41594 6/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
LMNA P02545 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
ALPL P05186 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22980450 1.00 PIK3CA (0.35) PIK3CAGRM5CHRNB2CHRNA4LMNA
SCHEMBL29673452 0.91 THRB (0.34) PIK3CAGRM5CHRNB2CHRNA4LMNA
SCHEMBL22980315 0.91 THRB (0.34) PIK3CAGRM5CHRNB2CHRNA4LMNA
SCHEMBL22980997 0.87 LMNA (0.36) GRM5LMNAFFAR4GAAALDH1A1
SCHEMBL29666163 0.87 LMNA (0.36) GRM5LMNAFFAR4GAAALDH1A1
SCHEMBL29434779 0.85 PIK3CA (0.34) PIK3CAGRM5CHRNB2CHRNA4ALPL
SCHEMBL22980259 0.85 PIK3CA (0.34) PIK3CAGRM5CHRNB2CHRNA4ALPL
SCHEMBL22980265 0.85 SLC40A1 (0.44) PIK3CAGRM5SLC22A12PDGFRBKDR
SCHEMBL29434888 0.85 SLC40A1 (0.44) PIK3CAGRM5SLC22A12PDGFRBKDR
Trifluoroacetic Acid SCHEMBL22980528 0.84 ACLY (0.34) PIK3CAALPLPIK3C3SMN1; 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 6 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
US-12065399-B2 Arylsulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2024-08-20 US 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

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 1815/4885GRM5 4194/4885CHRNB2 4184/4885
US-12065399-B2 Arylsulfonamide derivatives ARSA, SULT1E1, STS PIK3CA 1815/4885GRM5 4194/4885CHRNB2 4184/4885

“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.