SCHEMBL3584038

SCHEMBL3584038

COC(=O)c1[nH]c(=O)c2ccc(C)cc2c1O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
GAA P10253 5/20 0.68
KDM4E B2RXH2 5/20 0.68
HTT P42858 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
PADI4 Q9UM07 1/20 0.68
HPGD P15428 2/20 0.52
PARP1 P09874 2/20 0.45
NR4A2 P43354 2/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 3/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CSNK2A1 P68400 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL3583941 0.94 ALDH1A1 (0.68) ALDH1A1GAAKDM4EHTTNPSR1
SCHEMBL3572982 0.84 ALDH1A1 (0.67) ALDH1A1GAAKDM4EHTTNPSR1
SCHEMBL3580260 0.81 ALDH1A1 (1.00) ALDH1A1GAAKDM4EHTTNPSR1
SCHEMBL8141732 0.79 ALDH1A1 (0.63) ALDH1A1GAAKDM4EHTTNPSR1
SCHEMBL22451332 0.78 KDM4E (0.67) ALDH1A1GAAKDM4EHTTNPSR1
SCHEMBL13440423 0.78 ALDH1A1 (0.67) ALDH1A1GAAKDM4EHTTNPSR1
SCHEMBL522242 0.75 ALDH1A1 (0.57) ALDH1A1GAAKDM4EHTTNPSR1
SCHEMBL14672079 0.73 ALDH1A1 (0.67) ALDH1A1GAAKDM4EHTTNPSR1
SCHEMBL10204428 0.72 ALDH1A1 (0.71) ALDH1A1GAAKDM4EHTTNPSR1
SCHEMBL12553258 0.71 NR4A2 (0.51) ALDH1A1GAAKDM4EHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E ALDH1A1 431/4885GAA 925/4885KDM4E 2075/4885

“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.