SCHEMBL22980320

SCHEMBL22980320

Cc1cncc(C#Cc2cc(F)c(NS(=O)(=O)c3cccc(Cl)c3C)c(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.45
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
CCR4 P51679 1/20 0.41
SLC40A1 Q9NP59 3/20 0.41
SLC22A12 Q96S37 1/20 0.39
PTGES2 Q9H7Z7 4/20 0.38
MAP3K20 Q9NYL2 2/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
BRAF P15056 1/20 0.36

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
SCHEMBL29434862 1.00 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1
Trifluoroacetic Acid SCHEMBL28718803 0.92 HSD11B1 (0.39) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL22980440 0.92 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL23010759 0.92 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL29434807 0.92 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL29434864 0.92 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1
Trifluoroacetic Acid SCHEMBL28718812 0.85 HSD11B1 (0.39) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL24467921 0.84 EDNRA (0.49) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL22980994 0.84 HSD11B1 (0.47) HSD11B1EDNRBEDNRACCR4SLC40A1
SCHEMBL22980330 0.82 HSD11B1 (0.45) HSD11B1EDNRBEDNRACCR4SLC40A1

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 10 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
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
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 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.