SCHEMBL28340

SCHEMBL28340

CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.56
ERBB2 P04626 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
FFAR4 Q5NUL3 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR2 P34972 1/20 0.47
PTGES2 Q9H7Z7 1/20 0.47
CCR2 P41597 1/20 0.47
LMNA P02545 1/20 0.46
CNR1 P21554 1/20 0.45

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
SCHEMBL13484278 0.87 FFAR4 (0.55) CCR9FFAR4MAPTGAATP53
SCHEMBL12032535 0.85 ERBB2 (0.66) ERBB2HSP90AA1HSP90AB1GAACCR2
SCHEMBL28859 0.81 FFAR4 (0.46) CCR9FFAR4MAPTGAATP53
SCHEMBL28296 0.80 CCR9 (0.52) CCR9ERBB2HSP90AA1HSP90AB1FFAR4
SCHEMBL27299 0.80 CCR9 (0.52) CCR9ERBB2HSP90AA1HSP90AB1FFAR4
SCHEMBL342954 0.80 ERBB2 (0.56) CCR9ERBB2HSP90AA1HSP90AB1CCR2
SCHEMBL27486 0.79 LMNA (0.72) CCR9MAPTTP53KMT2ACCR2
SCHEMBL4940505 0.76 CCR9 (0.73) CCR9LMNA
SCHEMBL4613497 0.74 HTR6 (0.54) FFAR4MAPTGAATP53SMN1; SMN2
SCHEMBL6534765 0.73 HTR6 (0.65) ERBB2HSP90AA1HSP90AB1MAPTGAA

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
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
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-9035096-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-19 US disclosed
US-20070066823-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-03-22 US disclosed
US-20070066823-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-03-22 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 (4 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-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885ERBB2 1103/4885HSP90AA1 3317/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885ERBB2 1103/4885HSP90AA1 3317/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885ERBB2 1103/4885HSP90AA1 3317/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885ERBB2 1103/4885HSP90AA1 3317/4885

“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.