SCHEMBL9197870

SCHEMBL9197870

[NH]S(=O)(=O)CC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 2/20 0.54
CYP3A4 P08684 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALOX15 P16050 1/20 0.54
CES1 P23141 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RECQL P46063 2/20 0.53
ALDH1A1 P00352 4/20 0.50
GSK3B P49841 2/20 0.50
PTPN1 P18031 2/20 0.50
HIF1A Q16665 2/20 0.50
TRPA1 O75762 1/20 0.50
HSD11B1 P28845 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL1516246 0.82 MAPK1 (0.58) MAPK1MAPTTDP1MEN1CYP3A4
SCHEMBL137832 0.80 MAPK1 (0.56) MAPK1MAPTTDP1MEN1CYP3A4
SCHEMBL1699941 0.78 RECQL (0.58) MAPK1MAPTTDP1MEN1CYP3A4
SCHEMBL260911 0.78 ALDH1A1 (0.56) MAPK1MAPTTDP1MEN1CYP3A4
SCHEMBL7868384 0.78 MAPK1 (0.54) MAPK1MAPTTDP1MEN1CYP3A4
SCHEMBL2188285 0.78 MAPT (0.54) MAPK1MAPTTDP1MEN1CYP3A4
SCHEMBL15791249 0.78 MAPK1 (0.54) MAPK1MAPTTDP1MEN1CYP3A4
SCHEMBL7149069 0.78 MAPK1 (0.54) MAPK1MAPTTDP1MEN1CYP3A4
SCHEMBL113872 0.78 MAPK1 (0.54) MAPK1MAPTTDP1MEN1CYP3A4
SCHEMBL452973 0.77 HSD11B1 (0.77) MAPK1MAPTMEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US claimed
EP-0341694-B1 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KK (JP) 1995-09-06 EP disclosed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed
US-4956358-A ANTIBIOTICS, BACTERICIDES, CEPHALOSPORINS AND ISOCEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
US-4906659-A Antibiotic tan-749, its derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-06 US disclosed
US-4897489-A 2-/5-OXO-2-TETRAHYDROFURANY4-3-OXOISOXOL-IDINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-30 US disclosed
US-4891427-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-02 US disclosed
EP-0341694-A2 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed
US-4876251-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-24 US disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0250096-A1 Isoxazolone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 EP disclosed