SCHEMBL29434879

SCHEMBL29434879

Cc1c(Cl)cccc1S(=O)(=O)Nc1c(F)cc(C#Cc2cccc(Cl)c2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.45
EDNRB P24530 2/20 0.44
EDNRA P25101 2/20 0.44
CCR2 P41597 3/20 0.42
SLC40A1 Q9NP59 1/20 0.41
CCR4 P51679 1/20 0.39
PTGES2 Q9H7Z7 3/20 0.38
BRAF P15056 1/20 0.38
GRM5 P41594 1/20 0.38
ACLY P53396 1/20 0.38
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL22980410 1.00 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR2SLC40A1
SCHEMBL22980330 0.91 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR2SLC40A1
SCHEMBL29434792 0.91 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR2SLC40A1
SCHEMBL22980994 0.91 HSD11B1 (0.47) HSD11B1EDNRBEDNRACCR2SLC40A1
SCHEMBL29434807 0.87 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR2SLC40A1
SCHEMBL29434828 0.87 SMN1; SMN2 (0.49) HSD11B1EDNRBEDNRASLC40A1CCR4
SCHEMBL23010759 0.87 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR2SLC40A1
SCHEMBL22980484 0.87 SMN1; SMN2 (0.49) HSD11B1EDNRBEDNRASLC40A1CCR4
SCHEMBL22980274 0.86 SMN1; SMN2 (0.45) CCR2SLC40A1GRM5ACLYCPT1A
SCHEMBL29666248 0.86 SMN1; SMN2 (0.45) CCR2SLC40A1GRM5ACLYCPT1A

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-B1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2023-09-27 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 HSD11B1 1242/4885EDNRB 1400/4885EDNRA 1982/4885
US-12065399-B2 Arylsulfonamide derivatives ARSA, SULT1E1, STS HSD11B1 1242/4885EDNRB 1400/4885EDNRA 1982/4885

“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.