SCHEMBL6231646

SCHEMBL6231646

CC(C)(C)OC(=O)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)s2)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 10/20 0.38
MMP8 P22894 9/20 0.38
MMP3 P08254 8/20 0.38
MMP1 P03956 7/20 0.38
MMP14 P50281 6/20 0.38
MMP13 P45452 15/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP2 P08253 9/20 0.34
NR1H4 Q96RI1 1/20 0.33
SCN9A Q15858 1/20 0.33
MMP7 P09237 1/20 0.32

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
SCHEMBL6227180 0.88 MMP9 (0.40) MMP9MMP8MMP3MMP1MMP14
SCHEMBL6697733 0.85 MMP8 (0.54) MMP9MMP8MMP3MMP1MMP14
SCHEMBL5908626 0.85 MMP9 (0.50) MMP9MMP8MMP3MMP1MMP14
SCHEMBL6207339 0.83 MMP13 (0.49) MMP9MMP8MMP3MMP1MMP13
SCHEMBL6231649 0.79 MMP13 (0.37) MMP9MMP1MMP13MMP2NR1H4
SCHEMBL6206691 0.79 MMP13 (0.42) MMP9MMP8MMP3MMP1MMP14
SCHEMBL6230179 0.78 MMP8 (0.39) MMP9MMP8MMP3MMP1MMP14
SCHEMBL6205988 0.75 MMP2 (0.38) MMP9MMP8MMP3MMP1MMP14
SCHEMBL6228296 0.75 CYP3A4 (0.43) MMP9MMP8MMP3MMP1MMP14
SCHEMBL5718282 0.74 MMP2 (0.42) MMP9MMP8MMP3MMP1MMP14

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
EP-1565459-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-08-24 EP disclosed
US-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 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 (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-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors MMP3, MMP13, MMP10 MMP9 7/4885MMP8 28/4885MMP3 1/4885

“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.