SCHEMBL2115428

SCHEMBL2115428

Cc1cn(C(=O)OC(C)(C)C)c2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38
PLK1 P53350 2/20 0.38
EPHX1 P07099 1/20 0.38
AR P10275 1/20 0.37
SCN2B O60939 1/20 0.36
SCN1A P35498 1/20 0.36
SCN1B Q07699 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL16972300 0.85 HTR6 (0.46) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL3051164 0.85 HTR6 (0.46) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL30407382 0.85 HTR6 (0.46) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL5999988 0.84 HTR6 (0.62) HTR6L3MBTL1EPHX1MEN1KMT2A
SCHEMBL3054343 0.84 HTR6 (0.45) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL29950705 0.84 HTR6 (0.45) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL5735563 0.83 HTR6 (0.46) HTR6L3MBTL1EPHX1MEN1KMT2A
SCHEMBL30458192 0.83 HTR6 (0.55) HTR6L3MBTL1PLK1EPHX1MEN1
SCHEMBL29228913 0.83 HTR6 (0.55) HTR6L3MBTL1PLK1EPHX1MEN1
SCHEMBL2461044 0.83 ALDH1A1 (0.55) HTR6L3MBTL1GABRA1GABRG2GABRB3

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 8 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
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 HTR6 2512/4885L3MBTL1 4759/4885GABRA1 2869/4885

“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.