SCHEMBL5115513

SCHEMBL5115513

Cc1ccc(S(=O)(=O)O)c(CCC2CCOCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
DAO P14920 1/20 0.37
ADAMTS4 O75173 7/20 0.37
MMP13 P45452 6/20 0.37
ADAMTS5 Q9UNA0 6/20 0.37
MMP2 P08253 6/20 0.37
MMP14 P50281 3/20 0.37
MMP9 P14780 2/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ADAM17 P78536 1/20 0.35
SYK P43405 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL348533 0.90 ADAMTS4 (0.38) NPC1RAB9AADAMTS4MMP13MMP2
SCHEMBL963562 0.86 NPC1 (0.42) NPC1RAB9ACNR2CNR1ADAMTS4
SCHEMBL2484519 0.82 DRD4 (0.40) NPC1RAB9ACNR2CNR1ADAMTS4
SCHEMBL16715300 0.81 LMNA (0.33) LMNAALDH1A1CHRM1DRD4EPHX2
SCHEMBL3516007 0.80 ADAMTS4 (0.42) CNR2CNR1ADAMTS4MMP13ADAMTS5
SCHEMBL30823619 0.78 GAA (0.41) LMNAALDH1A1
SCHEMBL1180196 0.78 GAA (0.41) LMNAALDH1A1
SCHEMBL28886134 0.77 DRD2 (0.42) CHRM2CHRM1KCNH2DRD4HTR2A
SCHEMBL17797569 0.75 LMNA (0.34) NPC1RAB9ACNR2CNR1LMNA
SCHEMBL816601 0.75 GAA (0.39) LMNAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPC1 486/4885RAB9A 1315/4885CNR2 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.