SCHEMBL2947799

SCHEMBL2947799

COc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.93

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.76
KCNH2 Q12809 1/20 0.76
MAPT P10636 2/20 0.76
ALDH1A1 P00352 1/20 0.76
GAA P10253 1/20 0.76
CYP19A1 P11511 1/20 0.75
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
SMN1; SMN2 Q16637 1/20 0.69

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
SCHEMBL13234517 0.97 KCNA5 (0.72) KCNA5KCNH2MAPTALDH1A1GAA
SCHEMBL25268137 0.88 MMP9 (0.60) KCNA5KCNH2MAPTALDH1A1GAA
SCHEMBL13234544 0.87 MAPT (0.68) KCNA5KCNH2MAPTALDH1A1GAA
SCHEMBL2953798 0.86 CYP19A1 (0.81) KCNA5KCNH2CYP19A1MEN1KMT2A
SCHEMBL29963707 0.86 CYP19A1 (0.81) KCNA5KCNH2CYP19A1MEN1KMT2A
SCHEMBL2944829 0.86 KCNA5 (1.00) KCNA5KCNH2MAPTALDH1A1GAA
SCHEMBL29824252 0.86 KCNA5 (1.00) KCNA5KCNH2MAPTALDH1A1GAA
SCHEMBL30589551 0.86 CYP19A1 (1.00) KCNA5KCNH2MAPTALDH1A1GAA
SCHEMBL2945797 0.86 CYP19A1 (1.00) KCNA5KCNH2MAPTALDH1A1GAA
SCHEMBL2949716 0.86 CYP19A1 (0.72) KCNA5KCNH2MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
US-20060063823-A1 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 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-20060063823-A1 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer PTGIS, MMP15, IL15 KCNA5 1389/4885KCNH2 2410/4885MAPT 4276/4885

“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.