SCHEMBL4382645

SCHEMBL4382645

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
LGALS3 P17931 1/20 0.33

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
SCHEMBL4385118 1.00 PTGS2 (0.33) PTGS2PTGS1LGALS3
SCHEMBL4385878 0.91 USP7 (0.36) LGALS3
SCHEMBL4386749 0.88 PTGS2 (0.32) PTGS2PTGS1
SCHEMBL4394892 0.88 PTGS2 (0.32) PTGS2PTGS1
SCHEMBL4389494 0.83 GCGR (0.34) LGALS3
SCHEMBL4386784 0.83 GCGR (0.34) LGALS3
SCHEMBL4383993 0.82 SLC5A2 (0.41)
SCHEMBL4384949 0.82 SLC5A2 (0.41)
SCHEMBL4379299 0.81 ESR1 (0.37)
SCHEMBL4386494 0.81 ESR1 (0.37)

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 PTGS2 3878/4885PTGS1 3145/4885LGALS3 4749/4885

“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.