SCHEMBL12745936

SCHEMBL12745936

COc1cccc(-c2ccc3c(c2)C(=O)NS3(=O)=O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.45
▸ CA2 P00918 4/20 0.45
▸ CA9 Q16790 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA7 P43166 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RUNX1 Q01196 1/20 0.45
▸ CBFB Q13951 1/20 0.45
▸ CHEK1 O14757 2/20 0.44

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
SCHEMBL12826613 0.86 CA12 (0.44) CA12CA2CA9KDM4ECA1
SCHEMBL12745942 0.85 RET (0.48) CA12CA2CA9KDM4ECA1
SCHEMBL12826505 0.80 KMT2A (0.47) CA12CA2CA9KDM4ECA1
SCHEMBL12826771 0.78 TDP2 (0.51) CA12CA2CA9KDM4ECA1
SCHEMBL12879205 0.78 CA12 (0.54) CA12CA2CA9KDM4ECA1
SCHEMBL12746156 0.77 KDM4E (0.43) KDM4EALDH1A1HPGDRUNX1CBFB
SCHEMBL12826788 0.74 CHEK1 (0.51) CA12CA2CA9KDM4ECA1
SCHEMBL12745938 0.74 CA12 (0.45) CA12CA2CA9KDM4ECA1
SCHEMBL12745941 0.74 CA12 (0.42) CA12CA2CA9KDM4ECA1
SCHEMBL12745925 0.73 CA12 (0.54) CA12CA2CA9KDM4ECA1

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 5 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
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 CA12 3728/4885CA2 2091/4885CA9 2936/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 CA12 2645/4885CA2 1564/4885CA9 2397/4885

“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.

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