SCHEMBL2536261

SCHEMBL2536261

COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TP53 P04637 1/20 0.62
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
KMT2A Q03164 1/20 0.56
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
CCR9 P51686 1/20 0.55
LMNA P02545 3/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL3250357 0.87 ALDH1A1 (0.56) ALDH1A1TP53KEAP1NFE2L2KMT2A
SCHEMBL2530522 0.83 MEN1 (0.65) ALDH1A1TP53KMT2ACCR9GAA
SCHEMBL8989887 0.83 LMNA (0.77) ALDH1A1TP53KMT2ACCR9LMNA
SCHEMBL15354038 0.83 HTT (0.72) TP53KMT2ACCR9LMNAHTT
SCHEMBL4940505 0.80 CCR9 (0.73) CCR9LMNAHTT
SCHEMBL8990056 0.80 LMNA (0.61) ALDH1A1TP53KEAP1NFE2L2KMT2A
SCHEMBL28201 0.78 LMNA (0.57) ALDH1A1TP53KMT2ACCR9LMNA
SCHEMBL27476 0.78 CRHBP (0.57) TP53KMT2AFLT1FLT4KDR
SCHEMBL8989935 0.78 LMNA (0.56) TP53KMT2ACCR9LMNAHTT
SCHEMBL28784798 0.78 LMNA (0.68) ALDH1A1TP53KEAP1NFE2L2KMT2A

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 27 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
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
EP-1776347-B1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
US-20080261966-A1 BIS-ARYL SULFONAMIDES UNGASHE SOLOMON 2008-10-23 US disclosed
US-7396958-B2 Sulphonamide derivatives, their preparation and their therapeutic application SANOFI AVENTIS (FR) 2008-07-08 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
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
US-5338755-A Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system ELF SANOFI (FR) 1994-08-16 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 ALDH1A1 2054/4885TP53 3183/4885KEAP1 2690/4885
US-20050137179-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 ALDH1A1 2054/4885TP53 3183/4885KEAP1 2690/4885
US-20040167113-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 ALDH1A1 2054/4885TP53 3183/4885KEAP1 2690/4885
US-20110257183-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 ALDH1A1 2054/4885TP53 3183/4885KEAP1 2690/4885
US-20080261966-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 ALDH1A1 2054/4885TP53 3183/4885KEAP1 2690/4885

“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.