SCHEMBL2113237

SCHEMBL2113237

CC(C)Cc1c(S(=O)(=O)Cl)sc2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 6/20 0.36
CA2 P00918 1/20 0.36
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
PFKFB4 Q16877 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 2/20 0.32
HTR6 P50406 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4442798 0.88 CMA1 (0.39) CMA1CA2MTNR1AMTNR1BPFKFB4
SCHEMBL788282 0.77 CMA1 (0.48) CMA1PFKFB4DRD2HTR2AHTR7
SCHEMBL2115426 0.72 CMA1 (0.42) CMA1PFKFB4
SCHEMBL7539216 0.69 NPSR1 (0.45) CMA1CA2PFKFB4HTR6
SCHEMBL787942 0.68 CMA1 (0.51) CMA1PFKFB4DRD2HTR2AHTR7
SCHEMBL1743697 0.66 CMA1 (0.49) CMA1CA2PFKFB4DRD2HTR2A
SCHEMBL2114201 0.66 MTNR1A (0.52) CA2MTNR1AMTNR1BHTR2A
SCHEMBL13508283 0.63 CMA1 (0.52) CMA1PFKFB4DRD2HTR2AHTR7
SCHEMBL7472162 0.63 NPSR1 (0.45) CMA1CA2PFKFB4HTR6
SCHEMBL788489 0.63 PFKFB3 (0.54) CMA1PFKFB4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158655-B2 Chymase inhibitors; to treat allergic, inflammatory and fibrotic diseases; 5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid (4-bromo-2-trifluoromethyl-phenyl)-amide HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-8158655-B2 Chymase inhibitors; to treat allergic, inflammatory and fibrotic diseases; 5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid (4-bromo-2-trifluoromethyl-phenyl)-amide HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-8158655-B2 Chymase inhibitors; to treat allergic, inflammatory and fibrotic diseases; 5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid (4-bromo-2-trifluoromethyl-phenyl)-amide HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
EP-2118062-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US 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 (1 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-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 CMA1 1/4885CA2 17/4885MTNR1A 568/4885

“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.