SCHEMBL18198030

SCHEMBL18198030

CC(C)CC(NS(=O)(=O)C(C)C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
CA1 P00915 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CA2 P00918 3/20 0.36
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP8 P22894 2/20 0.36
MMP1 P03956 2/20 0.36
MMP13 P45452 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGDS O60760 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 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
SCHEMBL18198028 1.00 CNR2 (0.41) CNR2CA1CA12CA9ALDH1A1
SCHEMBL18198038 1.00 CNR2 (0.41) CNR2CA1CA12CA9ALDH1A1
SCHEMBL18198127 0.86 ALDH1A1 (0.42) CNR2CA1ALDH1A1CA2MMP2
SCHEMBL18198003 0.86 ALDH1A1 (0.42) CNR2CA1ALDH1A1CA2MMP2
SCHEMBL18198009 0.86 ALDH1A1 (0.42) CNR2CA1ALDH1A1CA2MMP2
SCHEMBL5514483 0.82 ALDH1A1 (0.52) CA1ALDH1A1CA2MMP2MMP9
SCHEMBL16886883 0.82 CA1 (0.39) CNR2CA1CA12CA9ALDH1A1
SCHEMBL16886882 0.82 CA1 (0.39) CNR2CA1CA12CA9ALDH1A1
SCHEMBL3247810 0.82 CA1 (0.39) CNR2CA1CA12CA9ALDH1A1
SCHEMBL19901363 0.81 ECE1 (0.41) CNR2CA1CA2

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-9902726-B2 Pyridone-sulfone morphinan analogs as opioid receptor ligands PURDUE PHARMA L.P. (US) 2018-02-27 US disclosed
US-9902726-B2 Pyridone-sulfone morphinan analogs as opioid receptor ligands PURDUE PHARMA L.P. (US) 2018-02-27 US disclosed
US-20160318932-A1 PYRIDONE-SULFONE MORPHINAN ANALOGS AS OPIOID RECEPTOR LIGANDS PURDUE PHARMA L.P. 2016-11-03 US 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-20160318932-A1 PYRIDONE-SULFONE MORPHINAN ANALOGS AS OPIOID RECEPTOR LIGANDS OPRK1, OPRM1, OPRL1 CNR2 25/4885CA1 4837/4885CA12 4863/4885

“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.