SCHEMBL2162158

SCHEMBL2162158

CCOC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)OC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.52
CNR1 P21554 7/20 0.51
CXCR2 P25025 4/20 0.45
CXCR4 P61073 4/20 0.45
HPGD P15428 7/20 0.43
NPSR1 Q6W5P4 4/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 5/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
CASP1 P29466 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP7 P55210 1/20 0.42
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2163243 0.92 CXCR2 (0.49) CNR2CNR1CXCR2CXCR4HPGD
SCHEMBL2162159 0.88 CNR2 (0.49) CNR2CNR1CXCR2CXCR4HPGD
SCHEMBL2162508 0.88 CXCR2 (0.46) CNR2CNR1CXCR2CXCR4HPGD
SCHEMBL2162342 0.87 CNR2 (0.52) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL2162462 0.87 CXCR2 (0.42) CNR2CNR1CXCR2CXCR4HPGD
SCHEMBL2162081 0.85 CNR2 (0.50) CNR2CNR1
SCHEMBL2162613 0.85 CNR2 (0.51) CNR2CNR1
SCHEMBL2162571 0.84 HPGD (0.45) CNR2CNR1CXCR2HPGDNPSR1
SCHEMBL2162704 0.84 MAPT (0.50) CNR2CNR1CXCR2HPGDNPSR1
SCHEMBL2162358 0.83 CNR2 (0.50) CNR2CNR1HPGDNPSR1KDM4E

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-7985768-B2 2-carbonylamino-4,6-dihydrothieno[2,3-c]furans such as ethyl 2-{[2-fluoro-6-(trifluoromethyl)benzoyl]amino}-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-carboxylate; CB2 receptors ligands for immune and inflammatory conditions; pain; neuroprotectants ABBOTT LABORATORIES (US) 2011-07-26 US claimed
US-20080058308-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 US claimed
WO-2008028094-A1 COMPOUNDS AS CB2 CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 WO claimed
US-7985768-B2 2-carbonylamino-4,6-dihydrothieno[2,3-c]furans such as ethyl 2-{[2-fluoro-6-(trifluoromethyl)benzoyl]amino}-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-carboxylate; CB2 receptors ligands for immune and inflammatory conditions; pain; neuroprotectants ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
US-20080058308-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 US disclosed
WO-2008028094-A1 COMPOUNDS AS CB2 CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 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-20080058308-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885CXCR2 402/4885

“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.