SCHEMBL926837

SCHEMBL926837

CCOC(=O)c1c(NC(=O)c2c(C(F)(F)F)ccc(Cl)c2F)sc2c1CC1CCC2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
HPGD P15428 8/20 0.39
ALDH1A1 P00352 6/20 0.39
CASP1 P29466 2/20 0.39
MAPK1 P28482 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 6/20 0.37
KDM4E B2RXH2 6/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 6/20 0.37
TP53 P04637 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
DHODH Q02127 1/20 0.36
CASP7 P55210 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL926847 0.88 CNR2 (0.46) THRBHPGDALDH1A1CASP1MAPK1
SCHEMBL927488 0.87 ANO1 (0.41) THRBHPGDALDH1A1CASP1MAPK1
SCHEMBL927272 0.84 MAPT (0.47) THRBHPGDALDH1A1CASP1MAPK1
SCHEMBL928719 0.82 CNR2 (0.46) THRBHPGDMAPK1NPSR1MAPT
SCHEMBL927449 0.78 CNR2 (0.44) HPGDALDH1A1MAPK1NPSR1MAPT
SCHEMBL928431 0.76 CNR2 (0.53) MAPTTP53
SCHEMBL2162462 0.75 CXCR2 (0.42) THRBHPGDALDH1A1CASP1MAPK1
SCHEMBL928018 0.75 CNR2 (0.47) THRBHPGDALDH1A1CASP1MAPK1
SCHEMBL930026 0.75 CNR2 (0.62) MAPTTP53CYP1A2
SCHEMBL926977 0.74 KMT2A (0.48) THRBHPGDALDH1A1MAPK1MAPT

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-7868038-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-01-11 US claimed
US-20080058307-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 US claimed
US-8598224-B2 Method for treating cannabinoid receptor related diseases with cannabinoid receptor ligands ABBVIE INC. (US) 2013-12-03 US disclosed
US-20110086838-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7868038-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-01-11 US disclosed
US-20080058307-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 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-20080058307-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPSR1 THRB 458/4885HPGD 3098/4885ALDH1A1 2231/4885
US-20110086838-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPSR1 THRB 458/4885HPGD 3098/4885ALDH1A1 2231/4885

“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.