SCHEMBL2947749

SCHEMBL2947749

Cc1ccccc1-c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA9 Q16790 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
PTGS2 P35354 5/20 0.48
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
MCL1 Q07820 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NT5E P21589 1/20 0.42
KCNH2 Q12809 1/20 0.42
MMP1 P03956 1/20 0.41

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
SCHEMBL10492060 0.87 CA12 (0.54) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL28301092 0.82 PTGS2 (0.71) CA12CA1CA2CA9PTGS2
SCHEMBL8597478 0.82 PTGS2 (0.64) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL2333782 0.81 CA12 (0.68) CA12CA1CA2CA9PTGS2
SCHEMBL3906960 0.81 CA2 (1.00) CA12CA1CA2CA9PTGS2
SCHEMBL3885125 0.79 CA12 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7510471 0.79 CA12 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL3633054 0.78 CA12 (0.61) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL29551674 0.78 CA12 (0.61) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5320291 0.78 TSHR (0.52) CA12CA1CA2CA9SMN1; SMN2

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 9 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
CN-112469690-B Method for producing arylamines 默克专利有限公司 2024-04-16 CN disclosed
CN-112469690-A Process for producing arylamines 默克专利有限公司 2021-03-09 CN 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-7244854-B2 Method of synthesizing trioxymethylene from formaldehyde by the catalytic action of an ionic liquid LANZHOU INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES (CN) 2007-07-17 US disclosed
US-20070135649-A1 METHOD OF SYNTHESIZING TRIOXYMETHYLENE FROM FORMALDEHYDE BY THE CATALYTIC ACTION OF AN IONIC LIQUID LANZHOU INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES (CN) 2007-06-14 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
US-4179578-A Para-phenyl stilbene derivatives SANDOZ LTD. (CH) 1979-12-18 US disclosed
US-4032558-A PARA-PHENYL STILBENE DERIVATIVES SANDOZ LTD. (CH) 1977-06-28 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 (2 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 CA12 4712/4885CA1 4649/4885CA2 3044/4885
US-20070135649-A1 METHOD OF SYNTHESIZING TRIOXYMETHYLENE FROM FORMALDEHYDE BY THE CATALYTIC ACTION OF AN IONIC LIQUID TST, HPD, PFAS CA12 1079/4885CA1 638/4885CA2 430/4885

“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.