SCHEMBL7667753

SCHEMBL7667753

COC(=O)c1cccc(S(=O)(=O)NCC(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.52
TMPRSS6 Q8IU80 3/20 0.52
MEP1B Q16820 2/20 0.48
BRD4 O60885 1/20 0.46
SLC40A1 Q9NP59 1/20 0.46
ACLY P53396 2/20 0.45
LMNA P02545 2/20 0.45
LOX P28300 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C3 P42330 1/20 0.44
STAT3 P40763 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7690859 0.89 MEP1B (0.62) F2TMPRSS6MEP1BCYP2C19AKR1C3
SCHEMBL782653 0.88 F2 (0.53) F2TMPRSS6MEP1BSLC40A1ACLY
SCHEMBL7673504 0.84 ALDH1A1 (0.54) F2TMPRSS6MEP1BMAPTHPGD
SCHEMBL7671933 0.82 F2 (0.56) F2TMPRSS6
SCHEMBL28588397 0.81 ALDH1A1 (0.51) MEP1BHPGDALDH1A1POLBCYP2C19
SCHEMBL7586096 0.80 F2 (0.52) F2TMPRSS6LMNAALDH1A1STAT3
SCHEMBL7674833 0.79 ACLY (0.43) F2TMPRSS6BRD4SLC40A1ACLY
SCHEMBL7671455 0.78 ACLY (0.41) F2TMPRSS6BRD4SLC40A1ACLY
SCHEMBL781871 0.78 F2 (0.42) F2TMPRSS6BRD4SLC40A1ACLY
SCHEMBL25203341 0.78 PTPRC (0.57) LMNAMAPTHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403644-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES INDUCED BY OVEREXPRESSION AND EXCESS ACTIVITY OF MATRIX METALLOPROTEINASE; FOR EXAMPLE, RHEUMATOID, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-11 US disclosed
US-6177466-B1 Sulfonylamino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 US disclosed
EP-0757037-A2 Sulfonylamino acid derivatives as metalloproteinase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1997-02-05 EP disclosed