SCHEMBL8071849

SCHEMBL8071849

O=C(O)c1cc(C=Cc2ccc(S(=O)(=O)Nc3cnccn3)cc2)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 4/20 0.75
PTPN1 P18031 3/20 0.52
PTPN2 P17706 1/20 0.52
PTPN6 P29350 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
USP2 O75604 1/20 0.52
SLCO2B1 O94956 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
LMNA P02545 1/20 0.52
MMP1 P03956 1/20 0.52
ABCB1 P08183 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL8071847 1.00 SLC7A11 (0.75) SLC7A11PTPN1PTPN2PTPN6MEN1
SCHEMBL8067761 0.86 SLC7A11 (1.00) SLC7A11PTPN1PTPN2PTPN6MEN1
SCHEMBL8068359 0.86 SLC7A11 (1.00) SLC7A11PTPN1PTPN2PTPN6MEN1
SCHEMBL8057896 0.82 SLC7A11 (0.70) SLC7A11PTPN1PTPN2PTPN6MEN1
SCHEMBL9312200 0.82 SLC7A11 (0.70) SLC7A11PTPN1PTPN2PTPN6MEN1
SCHEMBL8068375 0.82 SLC7A11 (0.70) SLC7A11PTPN1PTPN2PTPN6MEN1
SCHEMBL8068378 0.82 SLC7A11 (0.70) SLC7A11PTPN1PTPN2PTPN6MEN1
Alcohol SCHEMBL8057903 0.81 SLC7A11 (0.68) SLC7A11PTPN1PTPN2PTPN6MEN1
Alcohol SCHEMBL8997978 0.81 SLC7A11 (0.68) SLC7A11PTPN1PTPN2PTPN6MEN1
SCHEMBL8069115 0.78 SLC7A11 (0.66) SLC7A11PTPN1PTPN2PTPN6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613468-B1 Substituted salicylic acids for the treatment of autoimmune diseases PHARMACIA & UPJOHN AB (SE) 2000-07-12 EP disclosed
CN-1042631-C Novel substituted salicylic acids KABI PHARMACIA AB (SE) 1999-03-24 CN disclosed
US-5556855-A TREATMENT OF AUTOIMMUNE DISEASES PHARMACIA AB (SE) 1996-09-17 US disclosed
US-5403930-A Chemical intermediate for drugs used in autoimmune diseases PHARMACIA AB (SE) 1995-04-04 US disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed