SCHEMBL5895809

SCHEMBL5895809

COc1cccc(COc2ccc(/C=C(\NC(=O)c3ccccc3Br)C(=O)O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.49
ITGA4 P13612 2/20 0.49
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 2/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APP P05067 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL5895826 1.00 ITGB1 (0.49) ITGB1ITGA4SPHK2SPHK1RAB9A
SCHEMBL5895820 1.00 ITGB1 (0.49) ITGB1ITGA4SPHK2SPHK1RAB9A
SCHEMBL5896862 0.90 SPHK2 (0.52) ITGB1ITGA4SPHK2SPHK1RAB9A
SCHEMBL5896851 0.90 SPHK2 (0.52) ITGB1ITGA4SPHK2SPHK1RAB9A
SCHEMBL5896858 0.90 SPHK2 (0.52) ITGB1ITGA4SPHK2SPHK1RAB9A
SCHEMBL5895038 0.89 SPHK2 (0.49) ITGB1ITGA4SPHK2SPHK1RAB9A
SCHEMBL5895029 0.89 SPHK2 (0.49) ITGB1ITGA4SPHK2SPHK1RAB9A
SCHEMBL5897439 0.89 ITGB1 (0.58) ITGB1ITGA4SPHK2SPHK1RAB9A
SCHEMBL5895014 0.89 SPHK2 (0.49) ITGB1ITGA4SPHK2SPHK1RAB9A
SCHEMBL5897443 0.89 ITGB1 (0.58) ITGB1ITGA4SPHK2SPHK1RAB9A

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 ITGB1 3606/4885ITGA4 4280/4885SPHK2 3169/4885

“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.