SCHEMBL12745892

SCHEMBL12745892

O=C1NS(=O)(=O)c2ccc(-c3cccc(OCc4ccccc4)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.46
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
GRM5 P41594 1/20 0.44
SOD1 P00441 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
NR4A2 P43354 1/20 0.43
HDAC4 P56524 1/20 0.43
DHODH Q02127 1/20 0.43
CDC7 O00311 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL12745887 0.80 CA12 (0.63) MAOBMAOACA12CA2CA9
SCHEMBL9814730 0.80 MAOB (0.59) GSTP1MAOBMAOACA12CA2
SCHEMBL12746142 0.79 GSTP1 (0.49) GSTP1MRGPRX4MAOBMAOAGRM5
SCHEMBL379281 0.76 MAOB (0.67) GSTP1MRGPRX4MAOBMAOAFFAR4
SCHEMBL12826785 0.75 CHEK1 (0.51) CA12CA2CA9KDM4EUSP2
SCHEMBL5893696 0.74 CA12 (0.57) GSTP1MRGPRX4MAOBMAOACA12
SCHEMBL2137838 0.74 MRGPRX4 (0.69) GSTP1MRGPRX4MAOBMAOASOD1
SCHEMBL12745909 0.74 CA9 (0.54) GSTP1CA12CA2CA9HDAC4
SCHEMBL16346074 0.73 GSTP1 (0.66) GSTP1MRGPRX4MAOBFFAR4NR4A2
SCHEMBL23600959 0.72 CLK4 (0.51) MAOBCA12CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 US disclosed
WO-2009052320-A1 METHODS AND COMPOUNDS FOR MODULATING CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 WO disclosed
WO-2009052319-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 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 (2 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 GSTP1 2886/4885MRGPRX4 158/4885MAOB 151/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 GSTP1 2199/4885MRGPRX4 177/4885MAOB 139/4885

“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.