SCHEMBL5957537

SCHEMBL5957537

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.34
MMP7 P09237 1/20 0.34
HCRTR2 O43614 6/20 0.33
MMP13 P45452 4/20 0.33
CYP3A4 P08684 1/20 0.33
ADAM17 P78536 6/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
CETP P11597 1/20 0.31
P2RY12 Q9H244 2/20 0.31

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
SCHEMBL6166245 1.00 ACACB (0.34) ACACBMMP7HCRTR2MMP13CYP3A4
SCHEMBL6201446 0.90 MMP7 (0.35) ACACBMMP7HCRTR2MMP13CYP3A4
SCHEMBL6201448 0.90 MMP7 (0.35) ACACBMMP7HCRTR2MMP13CYP3A4
SCHEMBL5957627 0.88 MMP7 (0.33) MMP7MMP13CYP3A4ADAM17MMP2
SCHEMBL5949327 0.85 ADAM17 (0.34) MMP7HCRTR2MMP13CYP3A4ADAM17
SCHEMBL5949570 0.84 TMEM97 (0.38) MMP7MMP13MMP2
SCHEMBL5957841 0.84 CYP2C19 (0.41) MMP13ADAM17MMP2
SCHEMBL5949405 0.83 MMP13 (0.34) MMP7HCRTR2MMP13CYP3A4ADAM17
SCHEMBL5949440 0.83 TACR1 (0.37) MMP7HCRTR2MMP13CYP3A4ADAM17
SCHEMBL5949382 0.81 ADAM17 (0.46) ADAM17MMP2

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 ACACB 952/4885MMP7 11/4885HCRTR2 4528/4885

“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.