SCHEMBL2791078

SCHEMBL2791078

CC(=O)Nc1cc2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.64
▸ ADORA3 P0DMS8 5/20 0.60
▸ ADORA2A P29274 4/20 0.60
▸ ADORA1 P30542 2/20 0.60
▸ HSD17B10 Q99714 7/20 0.60
▸ KDM4E B2RXH2 7/20 0.60
▸ ALDH1A1 P00352 6/20 0.60
▸ GAA P10253 4/20 0.60
▸ HPGD P15428 4/20 0.60
▸ CASP1 P29466 3/20 0.60
▸ GLA P06280 3/20 0.60
▸ CASP7 P55210 2/20 0.60
▸ TMIGD3 P0DMS9 2/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HSP90AA1 P07900 2/20 0.46
▸ HSP90AB1 P08238 2/20 0.46

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
SCHEMBL4770043 0.81 ADORA3 (0.66) MAOAADORA3ADORA2AADORA1HSD17B10
SCHEMBL9319268 0.78 ADORA3 (0.67) MAOAADORA3ADORA2AADORA1HSD17B10
SCHEMBL11052857 0.77 ADORA3 (0.62) MAOAADORA3ADORA2AADORA1HSD17B10
SCHEMBL2792074 0.76 KDM4E (0.71) MAOAHSD17B10KDM4EALDH1A1GAA
SCHEMBL3130742 0.75 KDM4E (0.55) MAOAHSD17B10KDM4EALDH1A1GAA
SCHEMBL14212684 0.75 KDM4E (0.55) MAOAHSD17B10KDM4EALDH1A1GAA
SCHEMBL11395723 0.75 RAB9A (0.67) MAOAADORA3HSD17B10KDM4EALDH1A1
SCHEMBL6936676 0.75 KDM4E (1.00) MAOAHSD17B10KDM4EALDH1A1GAA
SCHEMBL8107293 0.74 ADORA3 (1.00) ADORA3ADORA2AADORA1KDM4EGLA
SCHEMBL8116456 0.74 ADORA3 (0.82) ADORA3ADORA2AADORA1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 — — US disclosed
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 — — US disclosed
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 — — US disclosed
WO-2008128344-A1 SMALL-MOLECULE HEPATITIS C VIRUS (HCV) NS3/4A SERINE PROTEASE INHIBITORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-10-30 — — WO disclosed
WO-2008128344-A1 SMALL-MOLECULE HEPATITIS C VIRUS (HCV) NS3/4A SERINE PROTEASE INHIBITORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-10-30 — — 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-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors SRR, HAVCR2, CBR3 MAOA 2161/4885ADORA3 894/4885ADORA2A 2128/4885

“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.

Send feedback