SCHEMBL4378282

SCHEMBL4378282

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.35
CYP2C9 P11712 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
GABRA5 P31644 3/20 0.33
EGFR P00533 2/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GSK3B P49841 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
SCHEMBL4389505 0.88 PTGIR (0.36) PTGIRCYP2C9PTGER4PTGER2GABRA5
SCHEMBL4383980 0.87 PTGIR (0.39) PTGIREGFRGSK3B
SCHEMBL4387719 0.87 L3MBTL1 (0.35) PTGIRGABRA5EGFRKDM4EL3MBTL1
SCHEMBL4384200 0.87 EGFR (0.38) PTGIRPTGER4EGFRGSK3B
SCHEMBL4384058 0.85 ADORA2A (0.40) PTGIREGFR
SCHEMBL4384125 0.83 PTGIR (0.39) PTGIRCYP2C9PTGER4PTGER2GABRA5
SCHEMBL4387626 0.82 PTGIR (0.33) PTGIREGFR
SCHEMBL4384051 0.81 GCGR (0.35) EGFR
SCHEMBL4381492 0.79 PTGIR (0.36) PTGIRCYP2C9PTGER4PTGER2GABRA5
SCHEMBL4386746 0.74 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 PTGIR 2990/4885CYP2C9 211/4885PTGER4 4516/4885

“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.