SCHEMBL22980321

SCHEMBL22980321

Cc1ccc(C)c(S(=O)(=O)Nc2c(F)cc(C#Cc3ccccc3)cc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
G6PD P11413 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
IDH1 O75874 2/20 0.41
POLB P06746 1/20 0.41
GRM4 Q14833 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
SCHEMBL29666209 1.00 ALDH1A1 (0.49) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL22980398 0.88 KAT6A (0.45) ALDH1A1TDP1LMNAHPGDEDNRB
SCHEMBL29666239 0.88 KAT6A (0.45) ALDH1A1TDP1LMNAHPGDEDNRB
SCHEMBL29434833 0.88 L3MBTL1 (0.43) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL23010358 0.88 L3MBTL1 (0.43) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL22981714 0.86 FFAR4 (0.39) GAAKMT2ALMNASMN1; SMN2EDNRA
SCHEMBL29666164 0.86 FFAR4 (0.39) GAAKMT2ALMNASMN1; SMN2EDNRA
SCHEMBL22980536 0.82 ALDH1A1 (0.47) ALDH1A1GAATSHRKMT2ALMNA
SCHEMBL29666106 0.82 ALDH1A1 (0.47) ALDH1A1GAATSHRKMT2ALMNA
SCHEMBL23010751 0.82 BRPF1 (0.47) ALDH1A1GAAKMT2ASMN1; SMN2EDNRB

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 ALDH1A1 378/4885GAA 1211/4885TSHR 614/4885
US-12065399-B2 Arylsulfonamide derivatives ARSA, SULT1E1, STS ALDH1A1 378/4885GAA 1211/4885TSHR 614/4885

“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.