SCHEMBL7998959

SCHEMBL7998959

O=CN(O)C1(CS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 14/20 0.47
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
NTRK1 P04629 1/20 0.46
MET P08581 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46
GRK5 P34947 1/20 0.46
MAP2K2 P36507 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
CDK8 P49336 1/20 0.46
GSK3B P49841 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
RPS6KA3 P51812 1/20 0.46
LIMK1 P53667 1/20 0.46
CDK5 Q00535 1/20 0.46

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
SCHEMBL7502951 0.85 ADAMTS4 (0.47) ADAMTS4MMP2ADAMTS5MMP13MMP9
SCHEMBL7991238 0.82 ADAMTS4 (0.44) ADAMTS4MMP2ADAMTS5MMP13MMP9
SCHEMBL8000265 0.80 MMP9 (0.55) MMP2MMP13MMP9MMP14MMP1
SCHEMBL7998947 0.76 MMP2 (0.47) ADAMTS4MMP2ADAMTS5MMP13MMP9
SCHEMBL4638907 0.76 MMP1 (0.59) ADAMTS4MMP2ADAMTS5MMP13MMP9
SCHEMBL7998963 0.74 MMP13 (0.60) MMP2MMP13MMP9MMP14MMP1
SCHEMBL8001943 0.69 MMP9 (0.58) MMP2MMP13MMP9MMP1MMP3
SCHEMBL7990305 0.69 MMP9 (0.62) MMP2MMP13MMP9MMP1MMP3
SCHEMBL7998999 0.68 MMP9 (0.70) CHEK1AURKANTRK1METPIM1
SCHEMBL7670905 0.67 CHEK1 (0.66) CHEK1AURKANTRK1METPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US claimed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed