SCHEMBL8054028

SCHEMBL8054028

CC(C)[S+]([O-])c1ccccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.46
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
METAP2 P50579 1/20 0.40
BCAT2 O15382 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
CTNNB1 P35222 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GRK6 P43250 1/20 0.35
PARP1 P09874 2/20 0.35

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
SCHEMBL8055446 0.83 IRAK4 (0.41) IRAK4KDM4EALDH1A1HPGDMAPT
SCHEMBL6228527 0.79 KDM4E (0.47) IRAK4KDM4EALDH1A1HPGDMAPT
SCHEMBL8054057 0.78 HTT (0.44) IRAK4KDM4EALDH1A1HPGDMAPT
SCHEMBL8055106 0.75 ALDH1A1 (0.42) IRAK4KDM4EALDH1A1HPGDMAPT
SCHEMBL8055459 0.75 KDM4E (0.42) IRAK4KDM4EALDH1A1HPGDMAPT
SCHEMBL1743540 0.73 BCAT2 (0.44) IRAK4KDM4EALDH1A1HPGDMAPT
SCHEMBL8042279 0.72 MAPT (0.42) IRAK4KDM4EALDH1A1HPGDMAPT
SCHEMBL20214599 0.71 KDM4E (0.42) IRAK4KDM4EALDH1A1HPGDMAPT
SCHEMBL25484900 0.71 GABRA1 (0.41) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL8057920 0.70 CYP3A4 (0.47) IRAK4KDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751123-B1 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 2000-05-10 EP claimed
US-5744609-A REACTING AN ALKYLTHIOBENZAMIDE WITH A HALOGEN IN A HETEROGENOUS SOLVENT TO GIVE ALKYLSULFURYLBENZAMIDES INTERMEDIATES; USEFUL ANTIBACTERIAL AND ANTIFUNGAL AGENT SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-04-28 US claimed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP claimed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP claimed
EP-0751123-B1 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 2000-05-10 EP disclosed
US-5744609-A REACTING AN ALKYLTHIOBENZAMIDE WITH A HALOGEN IN A HETEROGENOUS SOLVENT TO GIVE ALKYLSULFURYLBENZAMIDES INTERMEDIATES; USEFUL ANTIBACTERIAL AND ANTIFUNGAL AGENT SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-04-28 US disclosed
US-5672751-A TREATMENT OF A HALOBENZAMIDE WITH AN ALKANETHIOL IN THE PRESENCE OF A PHASE TRANSFER CATALYST SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-09-30 US disclosed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP disclosed
US-5508416-A HALOGENATING A 2-(ALKYLTHIO)BENZAMIDE, CYCLIZATION TO HETERO RING AND N-S LINKAGE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-04-16 US disclosed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP disclosed