SCHEMBL2532893

SCHEMBL2532893

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
CCR9 P51686 12/20 0.61
CCR2 P41597 1/20 0.60
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
METAP2 P50579 2/20 0.57
KDM1A O60341 1/20 0.56
SLC10A6 Q3KNW5 1/20 0.55
MAPT P10636 1/20 0.55
UQCRB P14927 1/20 0.52
HSD17B2 P37059 1/20 0.52

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
SCHEMBL343780 0.89 CCR9 (0.78) CCR9CCR2KDM1A
SCHEMBL29148 0.87 METAP2 (0.75) ALDH1A1CCR9LMNAHTTMETAP2
SCHEMBL4649665 0.87 METAP2 (0.74) CCR9CCR2METAP2KDM1ASLC10A6
SCHEMBL27490 0.86 CCR9 (0.78) CCR9CCR2LMNAHTTMAPT
SCHEMBL12221315 0.86 ALDH1A1 (0.67) ALDH1A1CCR9LMNAHTTMETAP2
SCHEMBL28773 0.85 METAP2 (0.75) ALDH1A1CCR9LMNAHTTMETAP2
SCHEMBL28158 0.84 CCR9 (0.80) ALDH1A1CCR9LMNAHTTMETAP2
SCHEMBL27509 0.84 ALDH1A1 (0.65) ALDH1A1CCR9LMNAHTTMETAP2
SCHEMBL28044 0.84 CCR9 (0.80) ALDH1A1CCR9LMNAHTTMETAP2
SCHEMBL4649661 0.82 METAP2 (0.57) CCR9CCR2METAP2KDM1ASLC10A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642808-B2 Bis-aryl sulfonamides CHEMOCENTRYX, INC. (US) 2014-02-04 US disclosed
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-20110257183-A1 BIS-ARYL SULFONAMIDES UNGASHE SOLOMON 2011-10-20 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-20100227902-A1 BIS-ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-09-09 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
US-7741519-B2 Bis-aryl sulfonamides CHEMOCENTRYX, INC. (US) 2010-06-22 US disclosed
US-20070203131-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2007-08-30 US disclosed
US-20070203131-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2007-08-30 US disclosed
US-7227035-B2 Bis-aryl sulfonamides CHEMOCENTRYX (US) 2007-06-05 US disclosed
US-7227035-B2 Bis-aryl sulfonamides CHEMOCENTRYX (US) 2007-06-05 US disclosed
US-7227035-B2 Bis-aryl sulfonamides CHEMOCENTRYX (US) 2007-06-05 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

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 2054/4885CCR9 14/4885CCR2 1/4885
US-20050137179-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 ALDH1A1 2054/4885CCR9 14/4885CCR2 1/4885
US-20070203131-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 ALDH1A1 2054/4885CCR9 14/4885CCR2 1/4885
US-20040167113-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 ALDH1A1 2054/4885CCR9 14/4885CCR2 1/4885
US-20110257183-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 ALDH1A1 2054/4885CCR9 14/4885CCR2 1/4885

“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.