SCHEMBL4069865

SCHEMBL4069865

CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(C(F)(F)F)nc1.CCc1sc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.47
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
CDC25B P30305 3/20 0.37
DUSP3 P51452 3/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL1465734 0.93 RORC (0.53) RORCALDH1A1HSD17B10HPGDTSHR
SCHEMBL1466192 0.83 ALDH1A1 (0.60) RORCALDH1A1HSD17B10HPGDTSHR
SCHEMBL1464240 0.82 CNR2 (0.48) RORCCNR1CNR2ABCC9ABCC8
SCHEMBL1464950 0.82 RORC (0.49) RORCALDH1A1HSD17B10HPGDMAPT
SCHEMBL1464685 0.80 RORC (0.57) RORCALDH1A1HSD17B10HPGDTSHR
SCHEMBL1465949 0.79 RORC (0.56) RORCALDH1A1HSD17B10HPGDTSHR
SCHEMBL12635982 0.79 CNR2 (0.47) RORCCNR1CNR2ABCC9ABCC8
SCHEMBL1465448 0.78 ALDH1A1 (0.56) RORCALDH1A1HSD17B10HPGDTSHR
SCHEMBL1464507 0.76 TAS2R14 (0.52) RORCCNR1CNR2ABCC9ABCC8
SCHEMBL1465215 0.76 CNR2 (0.46) RORCCNR1CNR2ABCC9ABCC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed