SCHEMBL28006

SCHEMBL28006

O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.86
HTT P42858 3/20 0.86
CCR9 P51686 7/20 0.74
MAPT P10636 2/20 0.68
TP53 P04637 1/20 0.68
KMT2A Q03164 1/20 0.68
SLC10A6 Q3KNW5 1/20 0.66
KCNA5 P22460 1/20 0.65
CCR2 P41597 1/20 0.61
ALDH1A1 P00352 1/20 0.61
BDKRB1 P46663 1/20 0.60
ACLY P53396 1/20 0.59
METAP2 P50579 1/20 0.59

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
SCHEMBL27979 0.96 LMNA (0.83) LMNAHTTCCR9MAPTTP53
SCHEMBL12242366 0.94 LMNA (0.80) LMNAHTTCCR9MAPTTP53
SCHEMBL28518 0.94 LMNA (0.80) LMNAHTTCCR9MAPTTP53
SCHEMBL13137558 0.94 LMNA (0.80) LMNAHTTCCR9MAPTTP53
SCHEMBL6182984 0.93 SLC10A6 (0.78) LMNAHTTCCR9MAPTTP53
SCHEMBL27758 0.92 LMNA (0.78) LMNAHTTCCR9MAPTTP53
SCHEMBL11182634 0.92 LMNA (1.00) LMNAHTTCCR9MAPTTP53
SCHEMBL2531519 0.92 LMNA (0.82) LMNAHTTCCR9MAPTTP53
SCHEMBL28469 0.92 CCR9 (0.79) LMNAHTTCCR9MAPTTP53
SCHEMBL12221317 0.91 LMNA (0.80) LMNAHTTCCR9MAPTTP53

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 97 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
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-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-20040167113-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2004-08-26 US 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 (8 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 LMNA 3548/4885HTT 4358/4885CCR9 1/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885CCR9 1/4885
US-20040167113-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 LMNA 4769/4885HTT 3567/4885CCR9 14/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885CCR9 1/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885CCR9 1/4885
US-20080261966-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 LMNA 4769/4885HTT 3567/4885CCR9 14/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885CCR9 1/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885CCR9 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.