SCHEMBL6231649

SCHEMBL6231649

CC(C)(C)C1CC(C(=O)O)(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)s2)CCO1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.37
NR1H4 Q96RI1 1/20 0.33
MMP1 P03956 4/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
SCN9A Q15858 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31

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 0.85 MMP9 (0.40) MMP13NR1H4MMP1MMP2MMP9
SCHEMBL6207341 0.84 MMP13 (0.40) MMP13MMP1MMP2MMP9
SCHEMBL6206693 0.80 MMP8 (0.36) MMP13MMP1MMP2MMP9
SCHEMBL6231646 0.79 MMP9 (0.38) MMP13NR1H4MMP1MMP2MMP9
SCHEMBL6697733 0.77 MMP8 (0.54) MMP13MMP1MMP2MMP9
SCHEMBL6230179 0.73 MMP8 (0.39) MMP13NR1H4MMP1MMP2MMP9
SCHEMBL6229908 0.72 RORC (0.47) MMP13MMP1MMP2MMP9
SCHEMBL6207709 0.71 RAB9A (0.37) MMP13MMP1MMP9
SCHEMBL5908950 0.69 MMP8 (0.54) MMP13MMP1MMP2MMP9
SCHEMBL6207037 0.67 DGAT1 (0.40) MMP13MMP1MMP2MMP9

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 MMP13 2/4885NR1H4 3837/4885MMP1 5/4885

“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.