SCHEMBL11394367

SCHEMBL11394367

O=C(O)CS(=O)(=O)CC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.35
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
MMP2 P08253 1/20 0.32
MMP7 P09237 1/20 0.32
MMP14 P50281 1/20 0.32
FAAH O00519 3/20 0.31
CES2 O00748 2/20 0.31
CES1 P23141 1/20 0.31
HTT P42858 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL11444113 0.78 POLB (0.31) POLB
SCHEMBL13656102 0.78 FAAH (0.33) POLBALDH1A1FAAHCES2CES1
SCHEMBL11576147 0.78 ALDH1A1 (0.31) POLBALDH1A1
SCHEMBL3341486 0.76 POLB (0.52) POLBAPEX1ALDH1A1L3MBTL1MMP12
SCHEMBL830748 0.74 POLB (1.00) POLBAPEX1ALDH1A1MMP12MMP13
SCHEMBL777742 0.74 CA1 (0.35)
SCHEMBL6984208 0.73 TSHR (0.39) FAAHCES2CES1
SCHEMBL7962385 0.72 POLB (0.93) POLBAPEX1ALDH1A1MMP12MMP13
SCHEMBL6853106 0.72 CA1 (0.33)
SCHEMBL7051925 0.70

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4286089-A BACTERICIDES SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed
US-4220644-A BACTERICIDES SMITHKLINE CORPORATION (US) 1980-09-02 US disclosed
US-4211703-A CHEMICAL INTERMEDIATES FOR CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1980-07-08 US disclosed
US-4189573-A CHEMICAL INTERMEDIATES SMITHKLINE CORPORATION (US) 1980-02-19 US disclosed
US-4159373-A 7-Acyl-3-(sulfonic acid and sulfamoyl substituted tetrazolyl thiomethyl) cephalosporins SMITHKLINE CORPORATION (US) 1979-06-26 US disclosed
US-4140694-A BACTERICIDES SMITHKLINE CORPORATION (US) 1979-02-20 US disclosed
US-4139701-A BACTERICIDES SMITHKLINE CORPORATION (US) 1979-02-13 US disclosed
US-4126682-A 7-ACYL-3-(CARBOXYALKYL AND CARBAMOYLALKYL SUBSTITUTED OXADIAZOLYLTHIOMETHYL) CEPHALOSPORINS AND ANTIBACTERIAL COMPOSITIONS AND METHODS EMPLOYING THEM SMITHKLINE CORPORATION (US) 1978-11-21 US disclosed
US-4118490-A ANTIBACTERIAL ACTIVITY SMITHKLINE CORPORATION (US) 1978-10-03 US disclosed
US-4112086-A BACTERICIDE SMITHKLINE CORPORATION (US) 1978-09-05 US disclosed
US-4068073-A BACTERICIDES SMITHKLINE CORPORATION (US) 1978-01-10 US disclosed
US-4066761-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-01-03 US disclosed
US-4059591-A Ureidoalkyl substituted tetrazole thiol intermediates for preparing cephalosporins SMITHKLINE CORPORATION (US) 1977-11-22 US disclosed
US-4048311-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-09-13 US disclosed
US-4034092-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-07-05 US disclosed
US-4025626-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-05-24 US disclosed
US-4013765-A COMPOSITIONS AND METHODS FOR TREATING BACTERIAL INFECTIONS WITH SUBSTITUTED ACETAMIDOCEPHALOSPORINS SMITHKLINE CORPORATION (US) 1977-03-22 US disclosed
US-3998818-A ANTIBACTERIAL AGENTS SMITHKLINE CORPORATION (US) 1976-12-21 US disclosed
US-3998819-A ANTIBACTERIAL AGENTS SMITHKLINE CORPORATION (US) 1976-12-21 US disclosed
US-3957770-A BACTERICIDES SMITHKLINE CORPORATION (US) 1976-05-18 US disclosed