SCHEMBL2944131

SCHEMBL2944131

O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.69
NR3C1 P04150 2/20 0.65
NR3C2 P08235 1/20 0.65
CYP19A1 P11511 2/20 0.62
RAD51 Q06609 1/20 0.59
GOT1 P17174 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PTGS1 P23219 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
SCHEMBL2952518 0.91 MGAM (0.80) MGAMNR3C1NR3C2CYP19A1RAD51
SCHEMBL2947791 0.89 MGAM (0.84) MGAMNR3C1NR3C2CYP19A1RAD51
SCHEMBL2944815 0.88 MGAM (0.76) MGAMNR3C1NR3C2CYP19A1RAD51
SCHEMBL2952890 0.88 MGAM (0.75) MGAMNR3C1CYP19A1RAD51MEN1
SCHEMBL5229726 0.87 MGAM (0.71) MGAMNR3C1NR3C2CYP19A1RAD51
SCHEMBL2951564 0.86 MGAM (0.66) MGAMNR3C1NR3C2CYP19A1RAD51
SCHEMBL2951606 0.86 MGAM (0.65) MGAMNR3C1NR3C2CYP19A1RAD51
SCHEMBL2951061 0.84 MGAM (0.70) MGAMNR3C1NR3C2CYP19A1RAD51
SCHEMBL2941990 0.84 MEN1 (0.69) MGAMNR3C1NR3C2CYP19A1RAD51
SCHEMBL2943611 0.83 CYP19A1 (0.81) CYP19A1MEN1KMT2A

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 MGAM 2413/4885NR3C1 206/4885NR3C2 259/4885

“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.