SCHEMBL2944179

SCHEMBL2944179

CCc1cc(Br)ccc1S(=O)(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.60
MGAM O43451 1/20 0.58
RAD51 Q06609 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
KCNA5 P22460 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL2948058 0.89 CYP19A1 (0.60) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2944188 0.84 MEN1 (0.69) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2948668 0.81 CYP19A1 (0.81) CYP19A1RAD51MEN1KMT2AKCNA5
SCHEMBL2949796 0.81 CYP19A1 (0.68) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2953659 0.81 CYP19A1 (0.75) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2945791 0.79 CYP19A1 (0.68) CYP19A1MGAMMEN1KMT2AKCNA5
SCHEMBL28314091 0.78 CYP19A1 (0.77) CYP19A1MEN1KMT2AALDH1A1KCNA5
SCHEMBL2944131 0.77 MGAM (0.69) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2952311 0.77 MGAM (0.76) CYP19A1MGAMRAD51MEN1KMT2A
SCHEMBL2952654 0.77 CYP19A1 (0.62) CYP19A1MGAMMEN1KMT2AMAPT

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 7 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
WO-2007076055-A9 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED INC (US) 2007-08-30 WO disclosed
WO-2007076055-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2007-07-05 WO 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 CYP19A1 408/4885MGAM 2413/4885RAD51 2656/4885

“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.