SCHEMBL5957516

SCHEMBL5957516

CC#CCOCC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.40
MMP13 P45452 4/20 0.40
MMP8 P22894 2/20 0.40
MMP2 P08253 2/20 0.40
TP53 P04637 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ADAM10 O14672 1/20 0.34
MMP3 P08254 1/20 0.34
ADAM9 Q13443 1/20 0.34
POLB P06746 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL15295187 0.78 L3MBTL1 (0.45) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL5957823 0.78 TP53 (0.40) ADAM17MMP13MMP8MMP2TP53
SCHEMBL5957622 0.76 EPHX2 (0.34) ADAM17MMP13MMP8MMP2
SCHEMBL5957630 0.75 EPHX2 (0.35) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL12522316 0.74 TP53 (0.50) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL5957626 0.73 MMP13 (0.44) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL436002 0.73 TP53 (0.44) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL15387041 0.73 TP53 (0.44) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL16127663 0.73 TP53 (0.44) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL24719407 0.72 TP53 (0.41) ADAM17TP53CYP4F2CYP4A11L3MBTL1

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 23/4885MMP8 29/4885

“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.