SCHEMBL4385878

SCHEMBL4385878

CCc1c(O)cc(O)c(-c2ccc(F)c(F)c2)c1CC1O[C@@H](CO)[C@H](CO)O1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.36
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
GCGR P47871 1/20 0.33
LGALS3 P17931 3/20 0.32
LGALS1 P09382 1/20 0.32

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
SCHEMBL4382645 0.91 PTGS2 (0.33) LGALS3
SCHEMBL4385118 0.91 PTGS2 (0.33) LGALS3
SCHEMBL4394892 0.90 PTGS2 (0.32)
SCHEMBL4386749 0.90 PTGS2 (0.32)
SCHEMBL4389494 0.85 GCGR (0.34) GCGRLGALS3LGALS1
SCHEMBL4386784 0.85 GCGR (0.34) GCGRLGALS3LGALS1
SCHEMBL4379299 0.83 ESR1 (0.37) USP7GCGR
SCHEMBL4386494 0.83 ESR1 (0.37) USP7GCGR
SCHEMBL6025149 0.83 ESR1 (0.37) USP7GCGR
SCHEMBL4392394 0.82 ESR1 (0.43) GCGRLGALS3LGALS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P USP7 413/4885BCL9 111/4885CTNNB1 2889/4885

“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.