SCHEMBL27509

SCHEMBL27509

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
CCR9 P51686 5/20 0.61
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
SLC10A6 Q3KNW5 2/20 0.58
METAP2 P50579 2/20 0.57
MAPT P10636 2/20 0.52
BDKRB1 P46663 3/20 0.51
ITGA1 P56199 1/20 0.51
SLC10A2 Q12908 1/20 0.50
SLC10A1 Q14973 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
KDM1A O60341 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
SCHEMBL344420 0.89 CCR9 (0.78) ALDH1A1CCR9SLC10A6METAP2BDKRB1
SCHEMBL28308 0.87 LMNA (0.79) ALDH1A1CCR9LMNAHTTSLC10A6
SCHEMBL16479405 0.87 LMNA (0.71) ALDH1A1CCR9LMNAHTTMETAP2
SCHEMBL28773 0.87 METAP2 (0.75) ALDH1A1CCR9LMNAHTTSLC10A6
SCHEMBL29148 0.87 METAP2 (0.75) ALDH1A1CCR9LMNAHTTSLC10A6
SCHEMBL12221315 0.86 ALDH1A1 (0.67) ALDH1A1CCR9LMNAHTTSLC10A6
SCHEMBL28044 0.84 CCR9 (0.80) ALDH1A1CCR9LMNAHTTSLC10A6
SCHEMBL2532893 0.84 ALDH1A1 (0.65) ALDH1A1CCR9LMNAHTTSLC10A6
SCHEMBL28158 0.84 CCR9 (0.80) ALDH1A1CCR9LMNAHTTSLC10A6
SCHEMBL27058 0.84 LMNA (0.57) ALDH1A1CCR9LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402310-A1 CCR9 inhibitors and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP claimed
EP-2399903-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2011-12-28 EP claimed
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-23 US claimed
US-7741519-B2 Bis-aryl sulfonamides CHEMOCENTRYX, INC. (US) 2010-06-22 US claimed
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 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-20070066823-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-03-22 US claimed
US-20060167251-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2006-07-27 US claimed
EP-1507756-A4 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2006-03-15 EP claimed
JP-2005526857-A 2005-09-08 JP claimed
EP-1507756-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2005-02-23 EP claimed
WO-2003099773-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-04 WO claimed
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMECEUTICALS INC (US) 2016-03-10 US disclosed
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMECEUTICALS INC (US) 2016-03-10 US disclosed
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMECEUTICALS INC (US) 2016-03-10 US disclosed
EP-1507756-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
US-20040038976-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-02-26 US disclosed
WO-2003099773-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-04 WO 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 (7 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-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 ALDH1A1 2607/4885CCR9 1/4885LMNA 3548/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 ALDH1A1 2607/4885CCR9 1/4885LMNA 3548/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 ALDH1A1 2607/4885CCR9 1/4885LMNA 3548/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 ALDH1A1 2607/4885CCR9 1/4885LMNA 3548/4885
US-20080261966-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 ALDH1A1 2054/4885CCR9 14/4885LMNA 4769/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 ALDH1A1 2607/4885CCR9 1/4885LMNA 3548/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 ALDH1A1 2607/4885CCR9 1/4885LMNA 3548/4885

“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.