SCHEMBL4383980

SCHEMBL4383980

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCCO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.39
KCNA5 P22460 1/20 0.38
GSK3B P49841 5/20 0.35
CDK2 P24941 1/20 0.35
EGFR P00533 2/20 0.35
MAPT P10636 1/20 0.33
GSK3A P49840 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
SCHEMBL4389505 0.89 PTGIR (0.36) PTGIRGSK3BCDK2EGFR
SCHEMBL4387719 0.88 L3MBTL1 (0.35) PTGIRGSK3BEGFRMAPTGSK3A
SCHEMBL4384200 0.88 EGFR (0.38) PTGIRGSK3BEGFR
SCHEMBL4378282 0.87 PTGIR (0.35) PTGIRGSK3BEGFR
SCHEMBL4384058 0.86 ADORA2A (0.40) PTGIREGFR
SCHEMBL4387626 0.85 PTGIR (0.33) PTGIREGFR
SCHEMBL4379268 0.82 PTGIR (0.42) PTGIRKCNA5MAPT
SCHEMBL4384051 0.82 GCGR (0.35) EGFRMAPT
SCHEMBL4384780 0.80 CNR2 (0.40) EGFRMAPT
SCHEMBL4381492 0.79 PTGIR (0.36) PTGIREGFRMAPT

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 PTGIR 2990/4885KCNA5 2912/4885GSK3B 2317/4885

“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.