SCHEMBL26735

SCHEMBL26735

CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Sc2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.49
PDE7A Q13946 2/20 0.48
CCR9 P51686 5/20 0.48
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
ALDH1A1 P00352 2/20 0.44
PGR P06401 1/20 0.43
ERBB2 P04626 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MCL1 Q07820 1/20 0.42
CNR1 P21554 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL13950287 0.89 ALDH1A1 (0.46) POLBLMNAKEAP1NFE2L2ALDH1A1
SCHEMBL7597807 0.75 CCR2 (0.71) CCR2LMNAPGRERBB2HSP90AA1
SCHEMBL12032537 0.71 ERBB2 (0.61) CCR2LMNAALDH1A1PGRERBB2
SCHEMBL1443643 0.71 CCR2 (0.62) CCR2LMNAALDH1A1PGRERBB2
SCHEMBL344322 0.71 ERBB2 (0.54) CCR2PDE7ACCR9ALDH1A1ERBB2
SCHEMBL11977002 0.71 KDM4E (0.70) POLBKDM4ELMNAALDH1A1
SCHEMBL27299 0.71 CCR9 (0.52) CCR2CCR9LMNAERBB2HSP90AA1
SCHEMBL12595050 0.71 CCR9 (0.44) CCR2CCR9POLBKDM4ELMNA
SCHEMBL7588944 0.70 ALDH1A1 (0.56) CCR2POLBLMNAALDH1A1
SCHEMBL14803278 0.69 AURKA (0.68) POLBKDM4ELMNAALDH1A1

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 69 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-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 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-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
US-20060167251-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2006-07-27 US disclosed
EP-1507756-A4 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2006-03-15 EP 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 (6 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 CCR2 10/4885PDE7A 2137/4885CCR9 1/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR2 10/4885PDE7A 2137/4885CCR9 1/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR2 10/4885PDE7A 2137/4885CCR9 1/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR2 10/4885PDE7A 2137/4885CCR9 1/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR2 10/4885PDE7A 2137/4885CCR9 1/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR2 10/4885PDE7A 2137/4885CCR9 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.