SCHEMBL27480

SCHEMBL27480

CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.54
CCR9 P51686 6/20 0.54
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
ACLY P53396 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
KCNA5 P22460 1/20 0.46
AVPR2 P30518 1/20 0.46
GPR27 Q9NS67 1/20 0.46
BDKRB1 P46663 2/20 0.46
CCR2 P41597 2/20 0.46
CCR1 P32246 1/20 0.46

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
SCHEMBL28398 0.90 CCR9 (0.67) KDM1ACCR9BDKRB1
SCHEMBL12359434 0.85 LMNA (0.64) CCR9LMNAHTTKMT2AMAPT
SCHEMBL27486 0.85 LMNA (0.72) CCR9LMNAHTTKMT2AMAPT
SCHEMBL27168 0.85 CCR9 (0.56) CCR9LMNAHTTKMT2AMAPT
SCHEMBL29408 0.84 MEN1 (0.47) CCR9LMNAHTTMEN1KMT2A
SCHEMBL28596 0.84 BDKRB1 (0.63) CCR9LMNAHTTGAAKMT2A
SCHEMBL27233 0.82 CCR9 (0.54) CCR9LMNAHTTMEN1KMT2A
SCHEMBL12221311 0.79 CCR9 (0.82) KDM1ACCR9LMNAHTTKMT2A
SCHEMBL28717 0.78 CCR9 (0.50) CCR9LMNAHTTMAPTBDKRB1
SCHEMBL28321 0.77 CCR9 (0.67) KDM1ACCR9LMNAHTTGAA

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 70 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
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-B1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2015-07-22 EP disclosed
EP-1507756-B1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2015-07-22 EP disclosed
US-9035096-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-19 US disclosed
EP-1507756-A4 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2006-03-15 EP 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
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 KDM1A 4036/4885CCR9 1/4885LMNA 3548/4885
US-20050137179-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 KDM1A 4854/4885CCR9 14/4885LMNA 4769/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 KDM1A 4036/4885CCR9 1/4885LMNA 3548/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 KDM1A 4036/4885CCR9 1/4885LMNA 3548/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 KDM1A 4036/4885CCR9 1/4885LMNA 3548/4885
US-20080261966-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 KDM1A 4854/4885CCR9 14/4885LMNA 4769/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 KDM1A 4036/4885CCR9 1/4885LMNA 3548/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 KDM1A 4036/4885CCR9 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.