SCHEMBL5115508

SCHEMBL5115508

Cc1ccc(S(=O)(=O)O)c(C(C)C2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
SYK P43405 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KCNH2 Q12809 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MME P08473 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
ADAM17 P78536 1/20 0.34
EPHX2 P34913 2/20 0.34
HPN P05981 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
SCHEMBL348532 0.90 EPHX2 (0.35) LMNAALDH1A1CHRM1EPHX2SMN1; SMN2
SCHEMBL28426483 0.87 SMN1; SMN2 (0.38) ALDH1A1EPHX2SMN1; SMN2CNR2
SCHEMBL28432841 0.86 TSHR (0.40) ALDH1A1EPHX2SMN1; SMN2CNR2NPC1
SCHEMBL28386091 0.83 LMNA (0.38) LMNAALDH1A1PIK3CAPIK3CBCHRM2
SCHEMBL3516005 0.80 EPHX2 (0.34) LMNAPIK3CAEPHX2CNR2MCOLN3
SCHEMBL17203730 0.76 CA2 (0.37) LMNAALDH1A1CHRM1EPHX2NPC1
SCHEMBL1121066 0.74 ALDH1A1 (0.42) LMNAALDH1A1SYKCHRM2CHRM4
SCHEMBL9101570 0.74 LMNA (0.38) LMNAALDH1A1CHRM1
SCHEMBL30666645 0.74 LMNA (0.38) LMNAALDH1A1CHRM1
SCHEMBL30667146 0.74 LMNA (0.38) LMNAALDH1A1CHRM1

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 LMNA 1150/4885ALDH1A1 914/4885PIK3CA 854/4885

“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.