SCHEMBL28717

SCHEMBL28717

CC(C)Oc1ccc(S(=O)(=O)Nc2ccncc2C(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 9/20 0.50
BDKRB1 P46663 6/20 0.50
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL28157 0.94 CCR9 (0.57) CCR9BDKRB1LMNAALDH1A1
SCHEMBL27705 0.92 BDKRB1 (0.50) CCR9BDKRB1LMNAHTTALDH1A1
SCHEMBL28596 0.87 BDKRB1 (0.63) CCR9BDKRB1LMNAHTTALDH1A1
SCHEMBL27508 0.82 ALDH1A1 (0.44) CCR9BDKRB1LMNAHTTALDH1A1
SCHEMBL9310829 0.82 CCR9 (0.68) CCR9BDKRB1LMNAHTT
SCHEMBL12359434 0.82 LMNA (0.64) CCR9BDKRB1LMNAHTTALDH1A1
SCHEMBL27168 0.81 CCR9 (0.56) CCR9BDKRB1LMNAHTTALDH1A1
SCHEMBL27486 0.81 LMNA (0.72) CCR9LMNAHTTMAPT
SCHEMBL344756 0.80 CCR9 (0.78) CCR9BDKRB1LMNAHTT
SCHEMBL12051105 0.80 CCR9 (0.66) CCR9BDKRB1LMNAHTTMAPT

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
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
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-9035096-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-19 US disclosed
US-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-20070021466-A1 CCR2 inhibitors and methods of use thereof CHEMOCENTRYX, INC. 2007-01-25 US disclosed
US-20070021466-A1 CCR2 inhibitors and methods of use thereof CHEMOCENTRYX, INC. 2007-01-25 US 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
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-20070021466-A1 CCR2 inhibitors and methods of use thereof CCR2, CCR1, CCL2 CCR9 14/4885BDKRB1 52/4885LMNA 4347/4885
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885BDKRB1 81/4885LMNA 3548/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885BDKRB1 81/4885LMNA 3548/4885
US-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885BDKRB1 81/4885LMNA 3548/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885BDKRB1 81/4885LMNA 3548/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885BDKRB1 81/4885LMNA 3548/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 CCR9 1/4885BDKRB1 81/4885LMNA 3548/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885BDKRB1 81/4885LMNA 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.