SCHEMBL6205249

SCHEMBL6205249

O=C(O)C1(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)s2)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
DGAT1 O75907 1/20 0.32
MMP3 P08254 6/20 0.31
MMP9 P14780 6/20 0.31
MMP8 P22894 6/20 0.31
MMP2 P08253 5/20 0.31
MMP13 P45452 5/20 0.31
MMP1 P03956 2/20 0.31
MMP14 P50281 2/20 0.31
CYP3A4 P08684 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MMP7 P09237 2/20 0.30

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
SCHEMBL8312446 0.93 MMP13 (0.40) MMP3MMP9MMP8MMP2MMP13
Hydrochloric Acid SCHEMBL6206309 0.92 MMP13 (0.40) MMP3MMP9MMP8MMP2MMP13
SCHEMBL6206551 0.90 MMP13 (0.32) MMP3MMP9MMP8MMP2MMP13
SCHEMBL8316637 0.86 ADAMTS5 (0.36) HDAC1ADAMTS5MMP3MMP9MMP8
SCHEMBL8313897 0.84 MMP2 (0.32) MMP3MMP9MMP8MMP2MMP13
SCHEMBL6227798 0.84 MMP2 (0.40) ADAMTS5DGAT1MMP3MMP9MMP8
SCHEMBL5908780 0.83 MMP2 (0.42) DGAT1MMP3MMP9MMP8MMP2
SCHEMBL8321170 0.80 MMP1 (0.31) MMP3MMP9MMP8MMP2MMP13
SCHEMBL6208878 0.79 MMP2 (0.40) DGAT1MMP3MMP9MMP8MMP2
SCHEMBL8312448 0.77 MMP13 (0.53) MMP3MMP9MMP8MMP2MMP13

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 4 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
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 HDAC1 113/4885ADAMTS5 27/4885DGAT1 1459/4885

“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.