SCHEMBL28204

SCHEMBL28204

CC(C)Oc1ccc(S(=O)(=O)Nc2ncccc2C(=O)c2cccc(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.48
ALDH1A1 P00352 5/20 0.46
CCR9 P51686 4/20 0.44
CHRNA7 P36544 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KAT6A Q92794 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
MAP2K7 O14733 1/20 0.40
MAP2K4 P45985 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL13138579 0.88 FFAR4 (0.46) BDKRB1ALDH1A1CCR9CHRNA7FFAR4
SCHEMBL27990 0.87 CCR9 (0.51) BDKRB1ALDH1A1CCR9CHRNA7FFAR4
SCHEMBL305833 0.77 CCR9 (0.48) BDKRB1CCR9FFAR4MAP2K7MAP2K4
SCHEMBL12051676 0.76 KAT6A (0.47) BDKRB1ALDH1A1CCR9CHRNA7FFAR4
SCHEMBL13077856 0.76 FFAR4 (0.50) BDKRB1ALDH1A1CCR9CHRNA7FFAR4
SCHEMBL28860 0.76 KAT6A (0.45) BDKRB1ALDH1A1CCR9FFAR4KAT6A
SCHEMBL28400 0.75 CCR9 (0.52) ALDH1A1CCR9FFAR4KAT6AMAPT
SCHEMBL29408 0.75 MEN1 (0.47) ALDH1A1CCR9FFAR4KAT6AMEN1
SCHEMBL5673746 0.75 KAT6A (0.45) BDKRB1ALDH1A1CCR9CHRNA7FFAR4
SCHEMBL12374588 0.75 KAT6A (0.42) BDKRB1ALDH1A1CCR9CHRNA7FFAR4

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 76 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
EP-1507756-B1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2015-07-22 EP disclosed
US-20070021466-A1 CCR2 inhibitors and methods of use thereof CHEMOCENTRYX, INC. 2007-01-25 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
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-20070021466-A1 CCR2 inhibitors and methods of use thereof CCR2, CCR1, CCL2 BDKRB1 52/4885ALDH1A1 1582/4885CCR9 14/4885
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 BDKRB1 81/4885ALDH1A1 2607/4885CCR9 1/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 BDKRB1 81/4885ALDH1A1 2607/4885CCR9 1/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 BDKRB1 81/4885ALDH1A1 2607/4885CCR9 1/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 BDKRB1 81/4885ALDH1A1 2607/4885CCR9 1/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 BDKRB1 81/4885ALDH1A1 2607/4885CCR9 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.