SCHEMBL1172289

SCHEMBL1172289

O=S(=O)(F)CCCCCCCc1cccc(OCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 1.00
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
BCHE P06276 4/20 0.51
FFAR1 O14842 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL1172084 0.86 MGLL (0.76) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL8577307 0.86 MGLL (0.76) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL1172242 0.86 MGLL (1.00) MGLLBCHEFFAR1
SCHEMBL1171851 0.86 MGLL (1.00) MGLLBCHEFFAR1
SCHEMBL1171456 0.85 MGLL (0.74) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL1171457 0.85 MGLL (0.74) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL1171455 0.85 MGLL (0.74) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL6750228 0.85 MGLL (0.74) MGLLCYP4F2CYP4A11BCHEFFAR1
SCHEMBL1172022 0.79 MGLL (0.71) MGLL
SCHEMBL1171704 0.79 MGLL (0.71) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102622-B2 Fatty acid amide hydrolase inhibitors UNIVERSITY OF CONNECTICUT (US) 2015-08-11 US disclosed
US-9102622-B2 Fatty acid amide hydrolase inhibitors UNIVERSITY OF CONNECTICUT (US) 2015-08-11 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-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity CONNECTICUT, UNIVERSITY OF 2010-09-16 US disclosed
EP-2203058-A1 METHODS AND COMPOUNDS FOR MODULATING CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2010-07-07 EP disclosed
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 US disclosed
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 US disclosed
EP-2051964-A2 FATTY ACID AMIDE HYDROLASE INHIBITORS University of Connecticut (US) 2009-04-29 EP disclosed
WO-2009052320-A1 METHODS AND COMPOUNDS FOR MODULATING CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 WO disclosed
WO-2008013963-A2 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT (US) 2008-01-31 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 (4 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 MGLL 1/4885CYP4F2 1946/4885CYP4A11 1615/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 MGLL 20/4885CYP4F2 722/4885CYP4A11 559/4885
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity FAAH, FAAH2, CNR2 MGLL 161/4885CYP4F2 3127/4885CYP4A11 3183/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 MGLL 4/4885CYP4F2 1685/4885CYP4A11 1253/4885

“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.