SCHEMBL30452073

SCHEMBL30452073

NCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 3/20 0.58
▸ PPARG P37231 1/20 0.57
▸ LTA4H P09960 1/20 0.57
▸ ACE P12821 2/20 0.56
▸ PLAU P00749 1/20 0.55
▸ PLAUR Q03405 1/20 0.55
▸ GHSR Q92847 1/20 0.55

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
SCHEMBL5795834 0.92 LTA4H (0.60) PPARGLTA4HACEGHSR
SCHEMBL19051488 0.89 PPARG (0.66) PPARGACE
SCHEMBL30452484 0.88 NPBWR1 (0.57) GHSR
SCHEMBL30051248 0.85 LTA4H (0.67) ECE1LTA4HACEGHSR
SCHEMBL30052824 0.85 LTA4H (0.67) ECE1LTA4HACEGHSR
SCHEMBL5500900 0.85 PPARG (0.63) PPARGACE
SCHEMBL15692399 0.84 LTA4H (0.66) ECE1LTA4HACE
SCHEMBL15692374 0.84 LTA4H (0.66) ECE1LTA4HACE
SCHEMBL29405776 0.84 GHSR (0.61) GHSR
SCHEMBL7251382 0.84 BMP1 (0.56) PPARGGHSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 — — US 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-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 ECE1 576/4885PPARG 3428/4885LTA4H 634/4885

“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.

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