SCHEMBL28596

SCHEMBL28596

CC(C)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.63
KMT2A Q03164 1/20 0.56
CCR9 P51686 2/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ELANE P08246 1/20 0.53
PRTN3 P24158 1/20 0.53
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNA5 P22460 1/20 0.49

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
SCHEMBL12359434 0.88 LMNA (0.64) BDKRB1KMT2ACCR9ALDH1A1HPGD
SCHEMBL27705 0.87 BDKRB1 (0.50) BDKRB1CCR9ALDH1A1HPGDLMNA
SCHEMBL28717 0.87 CCR9 (0.50) BDKRB1CCR9ALDH1A1HPGDLMNA
SCHEMBL27168 0.87 CCR9 (0.56) BDKRB1KMT2ACCR9ALDH1A1HPGD
SCHEMBL27486 0.87 LMNA (0.72) KMT2ACCR9LMNAHTTTP53
SCHEMBL27233 0.84 CCR9 (0.54) BDKRB1KMT2ACCR9ALDH1A1HPGD
SCHEMBL27480 0.84 KDM1A (0.54) BDKRB1KMT2ACCR9LMNAHTT
SCHEMBL28830 0.83 MAPT (0.45) BDKRB1KMT2ACCR9ALDH1A1HPGD
SCHEMBL31305 0.83 BDKRB1 (0.72) BDKRB1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL27995 0.82 ALDH1A1 (0.74) BDKRB1KMT2AALDH1A1HPGDCYP1A2

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 86 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
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
WO-2005112916-A2 BIS-ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2005-12-01 WO disclosed
US-20050137179-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2005-06-23 US disclosed
EP-1507756-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2005-02-23 EP 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 BDKRB1 81/4885KMT2A 4473/4885CCR9 1/4885
US-20050137179-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 BDKRB1 27/4885KMT2A 4477/4885CCR9 14/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 BDKRB1 81/4885KMT2A 4473/4885CCR9 1/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 BDKRB1 81/4885KMT2A 4473/4885CCR9 1/4885
US-20080261966-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 BDKRB1 27/4885KMT2A 4477/4885CCR9 14/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 BDKRB1 81/4885KMT2A 4473/4885CCR9 1/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 BDKRB1 81/4885KMT2A 4473/4885CCR9 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.