SCHEMBL5908780

SCHEMBL5908780

O=C(O)C1(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.42
MMP9 P14780 13/20 0.42
MMP3 P08254 12/20 0.42
MMP13 P45452 12/20 0.42
MMP8 P22894 11/20 0.42
MMP7 P09237 2/20 0.42
PHGDH O43175 1/20 0.42
MMP14 P50281 5/20 0.41
MMP10 P09238 1/20 0.41
MMP12 P39900 1/20 0.41
MMP1 P03956 7/20 0.40
DGAT1 O75907 1/20 0.40
ADAM17 P78536 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6208878 0.94 MMP2 (0.40) MMP2MMP9MMP3MMP13MMP8
Hydrochloric Acid SCHEMBL5908638 0.92 MMP2 (0.50) MMP2MMP9MMP3MMP13MMP8
SCHEMBL5908559 0.89 CYP3A4 (0.40) MMP2MMP9MMP3MMP13MMP8
SCHEMBL5908645 0.89 MMP13 (0.43) MMP2MMP9MMP3MMP13MMP8
SCHEMBL5908649 0.89 MMP13 (0.47) MMP2MMP9MMP3MMP13MMP8
SCHEMBL5908727 0.88 PHGDH (0.42) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6231419 0.87 MMP2 (0.41) MMP2MMP9MMP3MMP13MMP8
Hydrochloric Acid SCHEMBL6208482 0.86 MMP2 (0.48) MMP2MMP9MMP3MMP13MMP8
SCHEMBL8313315 0.85 MMP2 (0.40) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6206525 0.84 MMP13 (0.38) MMP2MMP9MMP3MMP13MMP8

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 MMP2 4/4885MMP9 7/4885MMP3 2/4885
US-20060074243-A1 Hydroxamic acid and amide compounds and their use as protease inhibitors MMP3, MMP13, MMP1 MMP2 4/4885MMP9 7/4885MMP3 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.