SCHEMBL3770069

SCHEMBL3770069

CCOCCNS(=O)(=O)C(C)(C)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
THRB P10828 2/20 0.35
PKM P14618 3/20 0.34
MMP8 P22894 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
RORC P51449 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL3779735 0.85 CA12 (0.41) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL3781129 0.83 ALDH1A1 (0.33) ALDH1A1TSHRTHRBKDM4ELMNA
SCHEMBL3784911 0.82 CA12 (0.43) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL3782536 0.81 PKM (0.39) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL13849290 0.77 GAA (0.36) ALDH1A1TSHRTHRBKDM4EMAPK1
SCHEMBL3780021 0.71 MMP8 (0.44) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL3196977 0.69 CA12 (0.37) ALDH1A1TSHRTHRBKDM4ELMNA
SCHEMBL1620933 0.69 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL13232097 0.69 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1TSHRTHRB
SCHEMBL1621367 0.69 ALOX15 (0.42) CYP4F2CYP4A11ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 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 (1 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CYP4F2 1284/4885CYP4A11 495/4885ALDH1A1 1785/4885

“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.