SCHEMBL5957737

SCHEMBL5957737

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.35
MMP13 P45452 6/20 0.35
MMP2 P08253 4/20 0.35
MMP8 P22894 2/20 0.35
DPP4 P27487 1/20 0.31
ACACB O00763 1/20 0.31
HCRTR2 O43614 3/20 0.30
FAAH O00519 1/20 0.30
MMP1 P03956 1/20 0.30
MMP14 P50281 2/20 0.30
MMP9 P14780 1/20 0.30
NAMPT P43490 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
SCHEMBL5957544 0.86 MMP13 (0.33) ADAM17MMP13MMP2MMP8HCRTR2
SCHEMBL6201446 0.79 MMP7 (0.35) ADAM17MMP13MMP2MMP8DPP4
SCHEMBL6201448 0.79 MMP7 (0.35) ADAM17MMP13MMP2MMP8DPP4
SCHEMBL6166245 0.79 ACACB (0.34) ADAM17MMP13MMP2MMP8ACACB
SCHEMBL5957537 0.79 ACACB (0.34) ADAM17MMP13MMP2MMP8ACACB
SCHEMBL5957511 0.77 ADAM17 (0.34) ADAM17MMP13MMP2MMP8DPP4
SCHEMBL5957505 0.77 ADAM17 (0.34) ADAM17MMP13MMP2MMP8DPP4
SCHEMBL5957536 0.77 MMP7 (0.55) ADAM17MMP13MMP2MMP8MMP1
SCHEMBL941379 0.74 MMP1 (0.49) MMP13MMP1NAMPT
SCHEMBL12911467 0.74 KMT2A (0.41) MMP13NAMPT

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 ADAM17 5/4885MMP13 23/4885MMP2 2/4885

“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.