SCHEMBL307761

SCHEMBL307761

O=S(=O)(O)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52
TAAR1 Q96RJ0 2/20 0.52
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
RORC P51449 1/20 0.49
CA1 P00915 2/20 0.49
PGR P06401 2/20 0.49
ESR2 Q92731 1/20 0.49
SCD O00767 1/20 0.48
MAOB P27338 2/20 0.47
ACLY P53396 1/20 0.47

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
SCHEMBL309222 0.86 ALDH1A1 (0.52) ALOX5MMP1MMP2MMP3MMP7
SCHEMBL3384413 0.85 CA2 (0.53) ALOX5MMP1MMP2MMP3MMP7
SCHEMBL10655412 0.84 TSHR (0.54) CA2CA12CA9CA1TSHR
SCHEMBL308569 0.83 KAT6A (0.50) ALOX5CA2CA12CA9RORC
SCHEMBL28298612 0.83 CA2 (0.75) ALOX5TAAR1CA2CA12CA9
SCHEMBL4452026 0.82 CYP1A2 (0.60) MMP1MMP2MMP7MMP9MMP8
SCHEMBL308807 0.81 ALDH1A1 (0.54) MMP1MMP2MMP3MMP7MMP9
SCHEMBL31491189 0.81 TAAR1 (0.71) ALOX5TAAR1PGRESR2MAOB
SCHEMBL16394285 0.81 TAAR1 (0.71) ALOX5TAAR1PGRESR2MAOB
SCHEMBL2952152 0.79 MMP13 (0.52) MMP1MMP2MMP3MMP7MMP9

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
US-8093245-B2 Anticancer agents; potent Deoxycytidine kinase inhibitors; inhibit thymidine kinase; inhibit uridine kinase; N-[3-(4-amino-5-fluoro-2-oxo-2H-pyrimidin-1-yl)-cyclopentyl]-3-bromo-benzenesulfonamide LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 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-20080182847-A1 4-AMINO-1H-PYRIMIDIN-2-ONE BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-07-31 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
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO disclosed
EP-0395883-B1 Mixtures of poly(arylene sulfides) with sulfonic end groups or their derivates with poly(arylene sulfides, and their use BAYER AG (DE) 1995-05-03 EP disclosed
US-5068312-A Molding materials formed by reacting dihalogen compounds with a sulfur donor in a solvent BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 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 ALOX5 6/4885MMP1 201/4885MMP2 538/4885
US-20080182847-A1 4-AMINO-1H-PYRIMIDIN-2-ONE BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE TPMT, DHFR, GLS2 ALOX5 717/4885MMP1 4564/4885MMP2 3598/4885

“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.