SCHEMBL6925883

SCHEMBL6925883

CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.60
MMP9 P14780 10/20 0.54
MMP2 P08253 8/20 0.54
MMP14 P50281 3/20 0.54
KIF11 P52732 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
NR3C1 P04150 1/20 0.48
MMP1 P03956 5/20 0.47
MMP13 P45452 2/20 0.47
MMP3 P08254 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MMP8 P22894 1/20 0.45

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
SCHEMBL514383 0.94 PTGS2 (0.65) PTGS2MMP9MMP2MMP14KIF11
SCHEMBL7673984 0.89 PTGS2 (0.68) PTGS2KIF11FFAR4BCHEACHE
SCHEMBL8941548 0.87 PTGS2 (0.50) PTGS2MMP9MMP2MMP14FFAR4
SCHEMBL9779140 0.85 MMP9 (0.56) MMP9MMP2MMP14FFAR4SLC6A4
SCHEMBL11547843 0.84 HTT (0.58) PTGS2
SCHEMBL10949316 0.82 PTGS2 (0.44) PTGS2MMP9MMP2MMP14SLC6A4
SCHEMBL7990329 0.81 PTGS2 (0.57) PTGS2MMP9MMP2MMP14KIF11
SCHEMBL5482429 0.81 MMP9 (0.54) MMP9MMP2MMP14NR3C1MMP1
SCHEMBL3310741 0.81 MMP9 (0.54) MMP9MMP2MMP14FFAR4SLC6A4
SCHEMBL28780452 0.79 EPHX2 (0.50) MMP9MMP2MMP14KIF11SLC6A4

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
WO-2003063762-A2 PROCESS FOR THE PREPARATION OF MATRIX METALLOPROTEINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-08-07 WO claimed
WO-2003063762-A2 PROCESS FOR THE PREPARATION OF MATRIX METALLOPROTEINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-08-07 WO disclosed
EP-1274586-A2 PREPARATION OF LIGHT-EMITTING, HIGHLY REFLECTIVE AND/OR METALLIC-LOOKING IMAGES ON A SUBSTRATE SURFACE SRI INTERNATIONAL (US) 2003-01-15 EP disclosed
EP-1147101-B1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-11-20 EP disclosed
US-20020128496-A1 Process for the preparation of matrix metalloproteinase inhibitors ABBOTT LABORATORIES 2002-09-12 US disclosed
US-6350902-B2 REACTING HYDROXYAMINE WITH A TRIFLUOROFORMATE ESTER ABBOTT LABORATORIES 2002-02-26 US disclosed
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
US-20020002307-A1 Process for the selective N-formylation of N-hydroxylamines ABBOTT LABORATORIES 2002-01-03 US disclosed
EP-1147101-A1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2001-10-24 EP disclosed
US-20010031896-A1 Process for the selective N-formylation of N-hydroxylamines ABBOTT LABORATORIES 2001-10-18 US disclosed
WO-2001070508-A2 PREPARATION OF LIGHT-EMITTING, HIGHLY REFLECTIVE AND/OR METALLIC-LOOKING IMAGES ON A SUBSTRATE SURFACE SRI INTERNATIONAL (US) 2001-09-27 WO 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
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed
WO-2000044739-A1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO disclosed
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO 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 (4 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-20010031896-A1 Process for the selective N-formylation of N-hydroxylamines HNMT, INMT, PNMT PTGS2 1251/4885MMP9 2786/4885MMP2 3410/4885
US-20020002307-A1 Process for the selective N-formylation of N-hydroxylamines HNMT, INMT, PNMT PTGS2 1251/4885MMP9 2786/4885MMP2 3410/4885
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 PTGS2 199/4885MMP9 2/4885MMP2 4/4885
US-20020128496-A1 Process for the preparation of matrix metalloproteinase inhibitors MMP9, MMP2, MMP14 PTGS2 188/4885MMP9 1/4885MMP2 2/4885

“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.