SCHEMBL5896858

SCHEMBL5896858

COc1cccc(COc2ccc(/C=C(/NC(=O)c3ccccc3O)C(=O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.52
SPHK1 Q9NYA1 4/20 0.52
APP P05067 1/20 0.51
ITGB1 P05556 2/20 0.50
ITGA4 P13612 2/20 0.50
MAOB P27338 3/20 0.47
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
AKR1C3 P42330 1/20 0.44

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
SCHEMBL5896862 1.00 SPHK2 (0.52) SPHK2SPHK1APPITGB1ITGA4
SCHEMBL5896851 1.00 SPHK2 (0.52) SPHK2SPHK1APPITGB1ITGA4
SCHEMBL5895038 0.90 SPHK2 (0.49) SPHK2SPHK1APPITGB1ITGA4
SCHEMBL5895029 0.90 SPHK2 (0.49) SPHK2SPHK1APPITGB1ITGA4
SCHEMBL5895014 0.90 SPHK2 (0.49) SPHK2SPHK1APPITGB1ITGA4
SCHEMBL5895826 0.90 ITGB1 (0.49) SPHK2SPHK1APPITGB1ITGA4
SCHEMBL5895809 0.90 ITGB1 (0.49) SPHK2SPHK1APPITGB1ITGA4
SCHEMBL5897443 0.90 ITGB1 (0.58) SPHK2SPHK1APPITGB1ITGA4
SCHEMBL5897439 0.90 ITGB1 (0.58) SPHK2SPHK1APPITGB1ITGA4
SCHEMBL5895820 0.90 ITGB1 (0.49) SPHK2SPHK1APPITGB1ITGA4

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-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 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-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI SPHK2 3169/4885SPHK1 2916/4885APP 4619/4885

“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.