SCHEMBL2950849

SCHEMBL2950849

O=S(=O)(NCCc1c[nH]c2ccccc12)c1cccc(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.75
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NR3C1 P04150 1/20 0.64
MGAM O43451 1/20 0.61
RAD51 Q06609 1/20 0.60
KCNA5 P22460 1/20 0.57
KCNH2 Q12809 1/20 0.57
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL25260284 0.88 NR3C1 (0.67) CYP19A1MEN1KMT2ANR3C1MGAM
SCHEMBL13234537 0.88 CYP19A1 (0.67) CYP19A1MEN1KMT2AMGAMKCNA5
SCHEMBL2943611 0.86 CYP19A1 (0.81) CYP19A1MEN1KMT2AKCNA5KCNH2
SCHEMBL30589551 0.86 CYP19A1 (1.00) CYP19A1MEN1KMT2AKCNA5KCNH2
SCHEMBL2945797 0.86 CYP19A1 (1.00) CYP19A1MEN1KMT2AKCNA5KCNH2
SCHEMBL2953659 0.86 CYP19A1 (0.75) CYP19A1MEN1KMT2AMGAMRAD51
SCHEMBL2948553 0.86 CYP19A1 (0.75) CYP19A1MEN1KMT2AMGAMKCNA5
SCHEMBL13234548 0.86 CYP19A1 (0.79) CYP19A1MEN1KMT2AKCNA5KCNH2
SCHEMBL2943762 0.86 CYP19A1 (0.75) CYP19A1MEN1KMT2AKCNA5KCNH2
SCHEMBL2951701 0.86 CYP19A1 (0.71) CYP19A1MEN1KMT2ANR3C1MGAM

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 CYP19A1 408/4885MEN1 4072/4885KMT2A 2777/4885

“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.