SCHEMBL29549311

SCHEMBL29549311

CCOC(=O)[C@@H](N)Cc1ccc(OC(=O)OCc2ccccc2Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 5/20 0.48
▸ EPHX2 P34913 1/20 0.45
▸ FFAR4 Q5NUL3 2/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.40
▸ SCN9A Q15858 1/20 0.38
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ TPH1 P17752 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL29787412 0.87 PLG (0.48) PLGEPHX2FFAR4FFAR1MAPT
SCHEMBL29682444 0.87 SLC7A5 (0.49) PLGFFAR4FFAR1MAPTPOLB
SCHEMBL11664676 0.87 SLC7A5 (0.49) PLGFFAR4FFAR1MAPTPOLB
SCHEMBL9117821 0.87 SLC7A5 (0.49) PLGFFAR4FFAR1MAPTPOLB
SCHEMBL7623712 0.87 SLC7A5 (0.49) PLGFFAR4FFAR1MAPTPOLB
SCHEMBL13613760 0.86 PLG (0.44) PLGEPHX2FFAR4FFAR1MAPT
SCHEMBL11407678 0.81 PLG (0.51) PLGFFAR4FFAR1MAPTPOLB
SCHEMBL2152942 0.79 EPHX2 (0.48) EPHX2MAPTPOLBKMT2ARAB9A
SCHEMBL21510453 0.79 LMNA (0.49) EPHX2MAPTPOLBKMT2APKM
SCHEMBL2152945 0.79 EPHX2 (0.48) EPHX2MAPTPOLBKMT2ARAB9A

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-11285165-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2022-03-29 — — 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-11285165-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A PLG 1155/4885EPHX2 3768/4885FFAR4 4371/4885

“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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