SCHEMBL12603082

SCHEMBL12603082

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nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.39
▸ CTSD P07339 6/20 0.37
▸ BACE1 P56817 3/20 0.36
▸ BACE2 Q9Y5Z0 3/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ REN P00797 4/20 0.36
▸ KEAP1 Q14145 2/20 0.36
▸ CALCRL Q16602 1/20 0.35
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL12873177 0.89 CALCRL (0.37) ERBB2BACE1BACE2CALCRLPTPN1
SCHEMBL2742710 0.89 CALCRL (0.37) ERBB2BACE1BACE2CALCRLPTPN1
SCHEMBL21766768 0.87 PSMB5 (0.36) ERBB2PSMB5RENKEAP1CALCRL
SCHEMBL29961965 0.86 CALCRL (0.37) ERBB2BACE1BACE2CALCRL
SCHEMBL30009160 0.85 CALCRL (0.48) BACE1BACE2CALCRL
SCHEMBL30788325 0.80 BACE1 (0.38) CTSDBACE1BACE2
SCHEMBL21766737 0.80 MAGI3 (0.39) BACE1BACE2KEAP1PTPN1
SCHEMBL30008256 0.79 BACE1 (0.39) CTSDBACE1BACE2
SCHEMBL30632044 0.79 PTPN1 (0.39) KEAP1PTPN1
SCHEMBL21766784 0.79 ERAP2 (0.37) ERBB2BACE1BACE2KEAP1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 — — US disclosed
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 — — 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-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC ERBB2 2372/4885CTSD 918/4885BACE1 4741/4885

“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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