SCHEMBL6526786

SCHEMBL6526786

COc1c(C(C)(C)C)cc(-c2csc(C3(NC(=O)O)CCOCC3)n2)cc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.61
CNR1 P21554 8/20 0.61
ECE1 P42892 2/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
DPP4 P27487 2/20 0.33
F2RL3 Q96RI0 2/20 0.33

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
SCHEMBL6520138 0.89 CNR2 (0.77) CNR2CNR1GAAKCNH2HDAC3
SCHEMBL2771211 0.80 CNR2 (0.76) CNR2CNR1ALDH1A1GAAMAPK1
SCHEMBL2773356 0.80 CNR2 (0.76) CNR2CNR1ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL6525331 0.79 CNR2 (0.74) CNR2CNR1ALDH1A1GAAMAPK1
SCHEMBL4938480 0.79 CNR2 (0.62) CNR2CNR1GAADPP4DPP8
SCHEMBL2774400 0.76 CNR2 (1.00) CNR2CNR1GAAPTGS1PTGS2
Hydrochloric Acid SCHEMBL6521926 0.75 CNR2 (0.98) CNR2CNR1GAAPTGS1PTGS2
SCHEMBL2773300 0.74 CNR2 (0.69) CNR2CNR1ALDH1A1GAAMAPK1
SCHEMBL2774825 0.73 CNR2 (0.78) CNR2CNR1GAAPTGS1PTGS2
Hydrochloric Acid SCHEMBL6524580 0.73 CNR2 (0.67) CNR2CNR1ALDH1A1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059970-A1 4-PHENYL-1,3-THIAZOLES AND 4-PHENYL-1,3-OXAZOLES DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2011-03-10 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 (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-20110059970-A1 4-PHENYL-1,3-THIAZOLES AND 4-PHENYL-1,3-OXAZOLES DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CNR2 2/4885CNR1 1/4885ECE1 1357/4885

“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.