SCHEMBL5908511

SCHEMBL5908511

O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cc3)cc2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.42
MMP2 P08253 18/20 0.42
MMP8 P22894 15/20 0.42
MMP9 P14780 14/20 0.42
MMP3 P08254 11/20 0.42
MMP1 P03956 7/20 0.42
MMP14 P50281 6/20 0.42
ADAM17 P78536 1/20 0.40
MMP7 P09237 1/20 0.38

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
SCHEMBL5908685 0.91 MMP13 (0.41) MMP13MMP2MMP8MMP9MMP3
SCHEMBL8313534 0.86 MMP13 (0.39) MMP13MMP2MMP8MMP9MMP3
SCHEMBL5919374 0.83 MMP13 (0.48) MMP13MMP2MMP8MMP9MMP3
SCHEMBL5908513 0.82 MMP8 (0.50) MMP13MMP2MMP8MMP9MMP3
SCHEMBL5908484 0.82 MMP13 (0.58) MMP13MMP2MMP8MMP9MMP3
SCHEMBL8313537 0.81 MMP13 (0.38) MMP13MMP2MMP8MMP9MMP3
SCHEMBL6207085 0.80 MMP13 (0.43) MMP13MMP2MMP8MMP9MMP3
SCHEMBL5908647 0.80 MMP13 (0.47) MMP13MMP2MMP8MMP9MMP3
SCHEMBL6227060 0.78 MMP13 (0.43) MMP13MMP2MMP8MMP9MMP3
SCHEMBL6225293 0.77 MMP13 (0.56) MMP13MMP2MMP8MMP9MMP3

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
US-20060074243-A1 Hydroxamic acid and amide compounds and their use as protease inhibitors PHARMACIA CORPORATION 2006-04-06 US disclosed
EP-1515951-A1 ARYLSULFONYLHYDROXAMIC ACID AND AMIDE DERIVATIVES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-03-23 EP disclosed
US-20040167182-A1 Hydroxamic acid and amide compounds and their use as protease inhibitors PHARMACIA CORPORATION 2004-08-26 US disclosed
WO-2004000811-A1 ARYLSULFONYLHYDROXAMIC ACID AND AMIDE DERIVATIVES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-12-31 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 (2 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-20040167182-A1 Hydroxamic acid and amide compounds and their use as protease inhibitors MMP1, MMP3, MMP13 MMP13 3/4885MMP2 4/4885MMP8 45/4885
US-20060074243-A1 Hydroxamic acid and amide compounds and their use as protease inhibitors MMP3, MMP13, MMP1 MMP13 2/4885MMP2 4/4885MMP8 59/4885

“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.