SCHEMBL7679568

SCHEMBL7679568

O=CN(O)C(CCCO)CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.60
AURKA O14965 1/20 0.60
NTRK1 P04629 1/20 0.60
MET P08581 1/20 0.60
PIM1 P11309 1/20 0.60
FGFR1 P11362 1/20 0.60
PRKACA P17612 1/20 0.60
GRK5 P34947 1/20 0.60
MAP2K2 P36507 1/20 0.60
FLT3 P36888 1/20 0.60
MAPK8 P45983 1/20 0.60
MAPK9 P45984 1/20 0.60
CDK8 P49336 1/20 0.60
GSK3B P49841 1/20 0.60
CDK7 P50613 1/20 0.60
CDK9 P50750 1/20 0.60
RPS6KA3 P51812 1/20 0.60
LIMK1 P53667 1/20 0.60
CDK5 Q00535 1/20 0.60
MAP2K1 Q02750 1/20 0.60

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
SCHEMBL7676525 0.93 CHEK1 (0.62) CHEK1AURKANTRK1METPIM1
SCHEMBL7510249 0.88 CHEK1 (0.65) CHEK1AURKANTRK1METPIM1
SCHEMBL7990010 0.87 MMP9 (0.47) CHEK1AURKANTRK1METPIM1
SCHEMBL7990333 0.85 MMP9 (0.46) CHEK1AURKANTRK1METPIM1
SCHEMBL7673400 0.82 MMP2 (0.67) CHEK1AURKANTRK1METPIM1
SCHEMBL7670905 0.80 CHEK1 (0.66) CHEK1AURKANTRK1METPIM1
SCHEMBL8005771 0.80 MMP9 (0.49) CHEK1AURKANTRK1METPIM1
SCHEMBL7678507 0.79 MMP9 (0.54) CHEK1AURKANTRK1METPIM1
SCHEMBL7998999 0.79 MMP9 (0.70) CHEK1AURKANTRK1METPIM1
SCHEMBL8002342 0.79 MMP2 (0.80) MMP9MMP2MMP1

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-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US claimed
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 CHEK1 4516/4885AURKA 4667/4885NTRK1 4873/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.