SCHEMBL12745902

SCHEMBL12745902

O=C1NS(=O)(=O)c2ccc(-c3ccc(CO)cc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.51
DAPK3 O43293 1/20 0.51
MAP4K4 O95819 1/20 0.51
RET P07949 1/20 0.51
PIM1 P11309 1/20 0.51
LTK P29376 1/20 0.51
GRK5 P34947 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CDK8 P49336 1/20 0.51
PRKX P51817 1/20 0.51
LIMK1 P53667 1/20 0.51
CDK5 Q00535 1/20 0.51
ACVR1 Q04771 1/20 0.51
PTK2 Q05397 1/20 0.51
TYRO3 Q06418 1/20 0.51
PRKAA1 Q13131 1/20 0.51
DYRK1A Q13627 1/20 0.51
NTRK3 Q16288 1/20 0.51
LRRK2 Q5S007 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL12745930 0.84 CHEK1 (0.51) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL12745887 0.81 CA12 (0.63) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL12745938 0.81 CA12 (0.45) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL12745941 0.81 CA12 (0.42) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL7288901 0.78 CA12 (0.57) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL12826785 0.76 CHEK1 (0.51) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL12431395 0.74 CHEK1 (0.57) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL28122890 0.74 RET (0.57) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL12745909 0.74 CA9 (0.54) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL23600959 0.73 CLK4 (0.51) CHEK1DAPK3MAP4K4RETPIM1

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 6 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-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
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 CHEK1 3325/4885DAPK3 2474/4885MAP4K4 2878/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 CHEK1 3378/4885DAPK3 2037/4885MAP4K4 2312/4885

“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.