SCHEMBL2941990

SCHEMBL2941990

COc1ccc(Cl)cc1S(=O)(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
MGAM O43451 1/20 0.60
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
ALOX12 P18054 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP19A1 P11511 1/20 0.57
NR3C1 P04150 2/20 0.54
RAD51 Q06609 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
KCNA5 P22460 1/20 0.52
KCNH2 Q12809 1/20 0.52
NR3C2 P08235 1/20 0.52

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
SCHEMBL2950777 0.88 MEN1 (0.70) MEN1KMT2AMGAMMAPTCYP19A1
SCHEMBL2949766 0.88 MEN1 (0.70) MEN1KMT2AMGAMMAPTCYP19A1
SCHEMBL2944188 0.88 MEN1 (0.69) MEN1KMT2AMGAMMAPTCYP19A1
SCHEMBL2952518 0.86 MGAM (0.80) MEN1KMT2AMGAMCYP19A1NR3C1
SCHEMBL2944131 0.84 MGAM (0.69) MEN1KMT2AMGAMCYP19A1NR3C1
SCHEMBL3133631 0.82 NR3C1 (0.79) NR3C1NR3C2
SCHEMBL2951565 0.82 MEN1 (1.00) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL30735585 0.80 MEN1 (0.58) MEN1KMT2AMAPTCYP19A1KCNA5
SCHEMBL2944815 0.79 MGAM (0.76) MEN1KMT2AMGAMCYP19A1NR3C1
SCHEMBL2952890 0.79 MGAM (0.75) MEN1KMT2AMGAMCYP19A1NR3C1

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 5 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 claimed
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 MEN1 4072/4885KMT2A 2777/4885MGAM 2413/4885

“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.