SCHEMBL4711323

SCHEMBL4711323

CCOC(=O)C(=O)C(NCc1ccc(S(=O)(=O)NCCCC(=O)O)s1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
S1PR4 O95977 2/20 0.37
S1PR5 Q9H228 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TSHR P16473 1/20 0.37
ELANE P08246 1/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
ATM Q13315 1/20 0.34
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SYK P43405 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL4713536 0.89 MAPK1 (0.44) SMN1; SMN2MAPK1S1PR4S1PR5FFAR4
SCHEMBL4019783 0.78 MAPK1 (0.41) SMN1; SMN2MAPK1S1PR4S1PR5FFAR4
SCHEMBL6719215 0.71 TSHR (0.41) SMN1; SMN2MAPK1TSHRLMNA
SCHEMBL4024326 0.69 MAPK1 (0.46) SMN1; SMN2MAPK1S1PR4S1PR5FFAR4
SCHEMBL4714650 0.67 MEN1 (0.47) SMN1; SMN2TSHRLMNAMAPT
SCHEMBL4717989 0.67 MEN1 (0.47) SMN1; SMN2TSHRLMNAMAPT
SCHEMBL5047436 0.67 MAPT (0.36) SMN1; SMN2MAPK1TSHRELANELMNA
SCHEMBL5039556 0.66 CAPN1 (0.38) SMN1; SMN2ELANELMNAGAA
SCHEMBL5047441 0.66 BCHE (0.44) ELANELMNAMAPT
SCHEMBL4717987 0.65 TSHR (0.47) SMN1; SMN2TSHRLMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986637-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS Laboratoires Serono SA (CH) 2008-11-05 EP disclosed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO disclosed