SCHEMBL27995

SCHEMBL27995

Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
CYP1A2 P05177 1/20 0.74
HPGD P15428 1/20 0.74
HSD17B10 Q99714 1/20 0.74
LMNA P02545 4/20 0.73
HTT P42858 1/20 0.73
BDKRB1 P46663 8/20 0.72
KMT2A Q03164 1/20 0.64
KCNA5 P22460 4/20 0.62
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
NOD2 Q9HC29 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.58
METAP2 P50579 1/20 0.58

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
SCHEMBL31305 0.90 BDKRB1 (0.72) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL28289991 0.89 BDKRB1 (0.74) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL12220857 0.89 LMNA (0.81) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL11501459 0.88 LMNA (0.69) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL9069174 0.87 ALDH1A1 (0.69) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL3041146 0.87 BDKRB1 (0.70) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL1688339 0.87 METAP2 (0.71) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL5095180 0.86 BDKRB1 (0.68) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL2534648 0.86 BDKRB1 (0.73) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL29879363 0.84 LMNA (0.59) ALDH1A1CYP1A2HPGDHSD17B10LMNA

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 105 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-7741519-B2 Bis-aryl sulfonamides CHEMOCENTRYX, INC. (US) 2010-06-22 US claimed
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US claimed
US-20080261966-A1 BIS-ARYL SULFONAMIDES UNGASHE SOLOMON 2008-10-23 US claimed
US-7227035-B2 Bis-aryl sulfonamides CHEMOCENTRYX (US) 2007-06-05 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-0469984-B1 N-sulfonyl-indoline derivatives, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1995-10-18 EP disclosed
EP-0469984-A2 N-sulfonyl-indoline derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-02-05 EP disclosed
EP-0015214-B1 DERIVATIVES OF SUBSTITUTED 2-BENZOYL GLYCINANILIDES, THEIR PREPARATION AND THEIR USE IN ANXIOLYTIC MEDICAMENTS PIERRE FABRE S.A. (FR) 1982-01-27 EP disclosed
EP-0015214-A1 Derivatives of substituted 2-benzoyl glycinanilides, their preparation and their use in anxiolytic medicaments PIERRE FABRE S.A. (FR) 1980-09-03 EP 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-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 ALDH1A1 2607/4885CYP1A2 3457/4885HPGD 3695/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 ALDH1A1 2607/4885CYP1A2 3457/4885HPGD 3695/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 ALDH1A1 2607/4885CYP1A2 3457/4885HPGD 3695/4885
US-20080261966-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 ALDH1A1 2054/4885CYP1A2 3096/4885HPGD 1424/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 ALDH1A1 2607/4885CYP1A2 3457/4885HPGD 3695/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 ALDH1A1 2607/4885CYP1A2 3457/4885HPGD 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.