SCHEMBL31369857

SCHEMBL31369857

COc1ccc(CCCN(CC(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 4/20 0.46
▸ ALOX5 P09917 3/20 0.44
▸ MDM2 Q00987 1/20 0.42
▸ CHRM5 P08912 4/20 0.41
▸ CHRM1 P11229 4/20 0.41
▸ CHRM3 P20309 4/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ PTGIR P43119 1/20 0.39
▸ PTGDR Q13258 1/20 0.39

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
SCHEMBL31370286 0.89 KMT2A (0.39) LPAR1MDM2FABP5KMT2A
SCHEMBL31369593 0.87 FABP5 (0.42) FABP5KMT2APTGIRPTGDR
SCHEMBL31370020 0.85 KMT2A (0.42) FABP5KMT2A
SCHEMBL30639568 0.84 KMT2A (0.44) ALOX5FABP5KMT2A
SCHEMBL21952273 0.84 KMT2A (0.44) ALOX5FABP5KMT2A
Hydrochloric Acid SCHEMBL31688770 0.84 KMT2A (0.41) FABP5KMT2A
SCHEMBL31369909 0.84 MAPK1 (0.45) FABP5KMT2A
SCHEMBL30854406 0.83 KMT2A (0.46) FABP5KMT2A
SCHEMBL30278715 0.83 KMT2A (0.46) FABP5KMT2A
SCHEMBL13797712 0.83 KMT2A (0.46) FABP5KMT2A

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 LPAR1 4802/4885ALOX5 4822/4885MDM2 2036/4885

“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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