SCHEMBL2184475

SCHEMBL2184475

CCOC(=O)C(C)(C)S(=O)(=O)C1CCC(OC)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
MAPT P10636 2/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MMP8 P22894 2/20 0.30
PIN1 Q13526 1/20 0.30
PKM P14618 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL766823 1.00 CNR1 (0.32) CNR1CNR2CYP4F2CYP4A11MAPT
SCHEMBL10171728 1.00 CNR1 (0.32) CNR1CNR2CYP4F2CYP4A11MAPT
SCHEMBL1619640 0.85 ALDH1A1 (0.35) CYP4F2CYP4A11MAPTHIF1AMEN1
SCHEMBL766710 0.84 CNR2 (0.41) CNR1CNR2CYP4F2CYP4A11MAPT
SCHEMBL1621536 0.84 ALDH1A1 (0.37) CYP4F2CYP4A11MAPTHIF1AMEN1
SCHEMBL10171735 0.80 CNR2 (0.32) CNR1CNR2
SCHEMBL766807 0.80 CNR2 (0.32) CNR1CNR2
SCHEMBL2184860 0.80 CNR2 (0.32) CNR1CNR2
SCHEMBL10171706 0.79 MAOA (0.33) CNR1CNR2CYP4F2CYP4A11MMP8
SCHEMBL3770086 0.78 MAPT (0.39) MAPTMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342199-B1 Sulfonyl compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INT (DE) 2014-02-26 EP disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
EP-2342199-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-07-13 EP disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
WO-2010036631-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 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 (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-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR1 2/4885CNR2 1/4885CYP4F2 1149/4885
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR1 2/4885CNR2 1/4885CYP4F2 1149/4885

“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.