SCHEMBL27508

SCHEMBL27508

CC(C)Oc1ccc(S(=O)(=O)Nc2ncncc2C(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
KAT6A Q92794 2/20 0.43
CCR9 P51686 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
BDKRB1 P46663 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MCL1 Q07820 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
ADAMTS4 O75173 1/20 0.39
NAMPT P43490 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
SCHEMBL28860 0.85 KAT6A (0.45) ALDH1A1LMNAHPGDCRHBPCRHR2
SCHEMBL12051676 0.85 KAT6A (0.47) ALDH1A1LMNAHPGDCRHBPCRHR2
SCHEMBL13077856 0.85 FFAR4 (0.50) ALDH1A1LMNAHPGDCRHBPCRHR2
SCHEMBL28400 0.84 CCR9 (0.52) ALDH1A1LMNAHPGDCRHBPCRHR2
SCHEMBL12051671 0.83 KAT6A (0.43) ALDH1A1LMNAHPGDCRHBPCRHR2
SCHEMBL12051672 0.83 KAT6A (0.43) ALDH1A1LMNAHPGDCRHBPCRHR2
SCHEMBL28717 0.82 CCR9 (0.50) ALDH1A1LMNAHPGDCRHBPCRHR2
SCHEMBL29408 0.82 MEN1 (0.47) ALDH1A1LMNAHPGDCRHBPCRHR2
SCHEMBL12374588 0.82 KAT6A (0.42) ALDH1A1LMNAHPGDCRHBPCRHR2
SCHEMBL28059 0.82 ALDH1A1 (0.41) ALDH1A1LMNAHPGDCRHBPCRHR2

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 ALDH1A1 1582/4885LMNA 4347/4885HPGD 1527/4885
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 ALDH1A1 2607/4885LMNA 3548/4885HPGD 3695/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 ALDH1A1 2607/4885LMNA 3548/4885HPGD 3695/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 ALDH1A1 2607/4885LMNA 3548/4885HPGD 3695/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 ALDH1A1 2607/4885LMNA 3548/4885HPGD 3695/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 ALDH1A1 2607/4885LMNA 3548/4885HPGD 3695/4885

“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.