SCHEMBL2639191

SCHEMBL2639191

O=C(O)C(F)CNCc1ccc(CC=NOCc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.52
S1PR3 Q99500 5/20 0.41
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
GBA1 P04062 2/20 0.35
LCT P09848 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
RORC P51449 1/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL2638911 0.91 S1PR1 (0.52) S1PR1S1PR3PDCD1CD274GBA1
SCHEMBL2433683 0.85 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL1566861 0.83 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL1566860 0.83 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL12631640 0.83 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL4664311 0.81 S1PR1 (0.46) S1PR1S1PR3GBA1LCTUGCG
SCHEMBL2638704 0.81 S1PR1 (0.51) S1PR1S1PR3PDCD1CD274RORC
SCHEMBL4664536 0.79 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL2639815 0.78 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL27876684 0.77 S1PR1 (0.50) S1PR1S1PR3PDCD1CD274RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4700616-B2 2011-06-15 JP claimed
EP-1633336-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-10-29 EP claimed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 EP claimed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO claimed
EP-1633336-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-10-29 EP disclosed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 EP disclosed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO disclosed