SCHEMBL5957536

SCHEMBL5957536

CC#CCOC1CCN(S(=O)(=O)CC(CCCc2ncccn2)N(O)C=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.55
MMP13 P45452 11/20 0.53
CYP3A4 P08684 3/20 0.53
MMP14 P50281 6/20 0.43
ADAMTS4 O75173 5/20 0.43
KCNH2 Q12809 3/20 0.43
MMP1 P03956 2/20 0.43
MMP2 P08253 6/20 0.32
MMP9 P14780 4/20 0.32
ADAM17 P78536 4/20 0.32
MMP8 P22894 1/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
MMP3 P08254 2/20 0.31
MMP17 Q9ULZ9 1/20 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
SCHEMBL8351813 0.89 MMP7 (0.59) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL5957621 0.88 MMP7 (0.53) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL5949319 0.84 MMP7 (0.53) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL5949574 0.84 MMP7 (0.57) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL5957836 0.83 MMP13 (0.42) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6201446 0.82 MMP7 (0.35) MMP7MMP13CYP3A4MMP1MMP2
SCHEMBL6201448 0.82 MMP7 (0.35) MMP7MMP13CYP3A4MMP1MMP2
SCHEMBL5949399 0.82 MMP7 (0.53) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL5949433 0.82 MMP7 (0.54) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL5948665 0.81 MMP7 (0.51) MMP7MMP13CYP3A4MMP14ADAMTS4

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
US-20060063783-A1 Sulphonylpiperidine derivatives containing an alkenyl or alkynyl moiety for use as matrix metalloproteinase inhibitors ASTRAZENECA AB (GB) 2006-03-23 US disclosed
EP-1531821-A2 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ALKENYL OR ALKYNYL MOIETY FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-05-25 EP disclosed
WO-2004006927-A2 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ALKENYL OR ALKYNLY MOIETY FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 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-20060063783-A1 Sulphonylpiperidine derivatives containing an alkenyl or alkynyl moiety for use as matrix metalloproteinase inhibitors MMP9, MMP2, TIMP3 MMP7 11/4885MMP13 23/4885CYP3A4 2205/4885

“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.