SCHEMBL4384200

SCHEMBL4384200

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
ADORA2A P29274 1/20 0.32
PTGIR P43119 4/20 0.32
DHODH Q02127 1/20 0.32
CLCN2 P51788 1/20 0.31
XDH P47989 1/20 0.31
FBP1 P09467 1/20 0.31
FABP4 P15090 2/20 0.31
FABP5 Q01469 2/20 0.31
FABP3 P05413 1/20 0.31
GSK3B P49841 1/20 0.31
PTGER4 P35408 1/20 0.30
KMO O15229 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL4384058 0.92 ADORA2A (0.40) EGFRADORA2APTGIRDHODHFBP1
SCHEMBL4387719 0.92 L3MBTL1 (0.35) EGFRPTGIRFBP1GSK3B
SCHEMBL4387626 0.88 PTGIR (0.33) EGFRPTGIRDHODH
SCHEMBL4383980 0.88 PTGIR (0.39) EGFRPTGIRGSK3B
SCHEMBL4378282 0.87 PTGIR (0.35) EGFRPTGIRGSK3BPTGER4
SCHEMBL4384051 0.86 GCGR (0.35) EGFR
SCHEMBL4389505 0.85 PTGIR (0.36) EGFRPTGIRGSK3BPTGER4
SCHEMBL4381492 0.83 PTGIR (0.36) EGFRPTGIRFBP1PTGER4
SCHEMBL4379839 0.79 ADORA2A (0.35) ADORA2APTGIRFBP1FABP4FABP5
SCHEMBL4386746 0.79 EGFR (0.35) EGFR

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 EGFR 624/4885ADORA2A 3962/4885PTGIR 2990/4885

“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.