SCHEMBL6291007

SCHEMBL6291007

NCCCC[C@](N)(C(=O)CCc1cccc(O)c1)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@](N)(CCCCN)C(=O)CCc3cccc(O)c3)cc2)c2ccc(NC(=O)[C@](N)(CCCCN)C(=O)CCc3cccc(OC(=O)C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CNR1 P21554 2/20 0.33
EGFR P00533 1/20 0.33
CNR2 P34972 1/20 0.33
CHRNA1 P02708 4/20 0.32
CHRNG P07510 4/20 0.32
CHRNB1 P11230 4/20 0.32
CHRND Q07001 4/20 0.32
GLS O94925 1/20 0.32
LTA4H P09960 2/20 0.31
ACHE P22303 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HIF1A Q16665 1/20 0.31
HRH2 P25021 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
TOP2A P11388 1/20 0.30
TOP2B Q02880 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
SCHEMBL6286550 0.87 MAPT (0.32) LTA4H
SCHEMBL6282776 0.85 EGFR (0.35) CNR1EGFRCNR2
Hydrochloric Acid SCHEMBL6286600 0.80 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNDGLS
SCHEMBL6286413 0.78 MEN1 (0.31)
SCHEMBL6290435 0.78 EGFR (0.34) EGFR
SCHEMBL6290421 0.78 EGFR (0.34) EGFR
Hydrochloric Acid SCHEMBL6287860 0.75 LTA4H (0.33) LTA4H
Trifluoroacetic Acid SCHEMBL7038495 0.74 TP53 (0.35)
Trifluoroacetic Acid SCHEMBL6288018 0.73 CES1 (0.39) EPHX2CNR2LTA4H
Trifluoroacetic Acid SCHEMBL6286281 0.73 CES1 (0.39) EPHX2CNR2LTA4H

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-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK EPHX2 2588/4885CNR1 1813/4885EGFR 256/4885

“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.