SCHEMBL2532347

SCHEMBL2532347

COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2F)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CCR9 P51686 2/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
BDKRB1 P46663 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
DNMT1 P26358 1/20 0.48
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48

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
SCHEMBL9321100 0.92 LMNA (0.55) KEAP1NFE2L2LMNASMN1; SMN2CCR9
SCHEMBL7214447 0.78 SLC10A2 (0.65) KEAP1NFE2L2LMNASMN1; SMN2ALDH1A1
SCHEMBL2536261 0.77 ALDH1A1 (0.62) KEAP1NFE2L2LMNASMN1; SMN2CCR9
SCHEMBL28784798 0.77 LMNA (0.68) KEAP1NFE2L2LMNASMN1; SMN2ALDH1A1
SCHEMBL13484206 0.76 FFAR4 (0.58) KEAP1NFE2L2LMNASMN1; SMN2CCR9
SCHEMBL5597948 0.76 ALDH1A1 (0.58) LMNASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL3250357 0.75 ALDH1A1 (0.56) KEAP1NFE2L2LMNASMN1; SMN2CCR9
SCHEMBL27882 0.75 CCR9 (0.68) LMNACCR9BDKRB1MAPTHTT
SCHEMBL28044 0.73 CCR9 (0.80) KEAP1NFE2L2LMNASMN1; SMN2CCR9
SCHEMBL5927303 0.72 LMNA (0.53) KEAP1NFE2L2LMNASMN1; SMN2ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741519-B2 Bis-aryl sulfonamides CHEMOCENTRYX, INC. (US) 2010-06-22 US claimed
CN-100582091-C Bis-aryl sulfonamides CHEMOCENTRYX 2010-01-20 CN claimed
US-20080261966-A1 BIS-ARYL SULFONAMIDES UNGASHE SOLOMON 2008-10-23 US claimed
EP-1567486-B1 BIS-ARYL SULFONAMIDES CHEMOCENTRYX INC (US) 2008-01-16 EP claimed
US-7227035-B2 Bis-aryl sulfonamides CHEMOCENTRYX (US) 2007-06-05 US claimed
US-8642808-B2 Bis-aryl sulfonamides CHEMOCENTRYX, INC. (US) 2014-02-04 US disclosed
US-20110257183-A1 BIS-ARYL SULFONAMIDES UNGASHE SOLOMON 2011-10-20 US disclosed
US-20100227902-A1 BIS-ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-09-09 US disclosed
US-7741519-B2 Bis-aryl sulfonamides CHEMOCENTRYX, INC. (US) 2010-06-22 US disclosed
CN-100582091-C Bis-aryl sulfonamides CHEMOCENTRYX 2010-01-20 CN disclosed
US-20080261966-A1 BIS-ARYL SULFONAMIDES UNGASHE SOLOMON 2008-10-23 US disclosed
US-7335653-B2 Chemokine receptor antagonists; CCR9-mediated disorders such as inflammatory and autoimmune diseases CHEMOCENTRYX, INC. (US) 2008-02-26 US disclosed
WO-2005112916-A2 BIS-ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2005-12-01 WO disclosed
EP-1567486-A2 BIS-ARYL SULFONAMIDES Chemocentryx (US) 2005-08-31 EP disclosed
US-20050137179-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2005-06-23 US disclosed
WO-2004085384-A2 BIS-ARYL SULFONAMIDES CHEMOCENTRYX (US) 2004-10-07 WO disclosed
US-20040167113-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2004-08-26 US disclosed
US-5578633-A VASOPRESSIN AND OXYTOCIN ANTAGONISTS SANOFI (FR) 1996-11-26 US disclosed
US-5481005-A N-sulfonylindoline derivatives, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1996-01-02 US disclosed
US-5397801-A Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems SANOFI (FR) 1995-03-14 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 (5 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-20100227902-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 KEAP1 2690/4885NFE2L2 3414/4885LMNA 4769/4885
US-20050137179-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 KEAP1 2690/4885NFE2L2 3414/4885LMNA 4769/4885
US-20040167113-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 KEAP1 2690/4885NFE2L2 3414/4885LMNA 4769/4885
US-20110257183-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 KEAP1 2690/4885NFE2L2 3414/4885LMNA 4769/4885
US-20080261966-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 KEAP1 2690/4885NFE2L2 3414/4885LMNA 4769/4885

“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.