SCHEMBL28860

SCHEMBL28860

CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)cc2C(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
CCR9 P51686 2/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 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
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
BDKRB1 P46663 2/20 0.42
GCK P35557 1/20 0.40

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
SCHEMBL12051676 0.90 KAT6A (0.47) KAT6AKMT2AMEN1FFAR4CCR9
SCHEMBL13077856 0.90 FFAR4 (0.50) KAT6AKMT2AMEN1FFAR4CCR9
SCHEMBL28400 0.89 CCR9 (0.52) KAT6AFFAR4CCR9ALDH1A1LMNA
SCHEMBL12051671 0.87 KAT6A (0.43) KAT6AKMT2AMEN1FFAR4CCR9
SCHEMBL12051672 0.87 KAT6A (0.43) KAT6AKMT2AMEN1FFAR4CCR9
SCHEMBL5673746 0.86 KAT6A (0.45) KAT6AKMT2AMEN1FFAR4CCR9
SCHEMBL29408 0.86 MEN1 (0.47) KAT6AKMT2AMEN1FFAR4CCR9
SCHEMBL29147 0.86 LMNA (0.45) KAT6AKMT2AMEN1FFAR4CCR9
SCHEMBL12374588 0.86 KAT6A (0.42) KAT6AKMT2AMEN1FFAR4CCR9
SCHEMBL27508 0.85 ALDH1A1 (0.44) KAT6AKMT2AMEN1FFAR4CCR9

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 67 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 KAT6A 3741/4885KMT2A 2231/4885MEN1 4873/4885
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 KAT6A 3501/4885KMT2A 4473/4885MEN1 3033/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 KAT6A 3501/4885KMT2A 4473/4885MEN1 3033/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 KAT6A 3501/4885KMT2A 4473/4885MEN1 3033/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 KAT6A 3501/4885KMT2A 4473/4885MEN1 3033/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 KAT6A 3501/4885KMT2A 4473/4885MEN1 3033/4885

“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.