SCHEMBL30408602

SCHEMBL30408602

CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.49
▸ KLK5 Q9Y337 2/20 0.49
▸ MAPT P10636 2/20 0.48
▸ CTSK P43235 3/20 0.47
▸ SYK P43405 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CTSS P25774 2/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL26268640 0.87 SIRT2 (0.42) SIRT2SIRT1SIRT3
SCHEMBL29401618 0.85 TGM2 (0.56) ITGB3CTSSSIRT2SIRT1
SCHEMBL9635011 0.84 BACE1 (0.43) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL5712238 0.83 MEN1 (0.48) CTSKITGB3ITGA2BCTSSPPARA
SCHEMBL20542979 0.83 MEN1 (0.48) CTSKITGB3ITGA2BCTSSPPARA
SCHEMBL7424943 0.83 MEN1 (0.48) CTSKITGB3ITGA2BCTSSPPARA
SCHEMBL880800 0.83 CTSK (0.47) KLK7KLK5CTSKCTSS
SCHEMBL7549143 0.82 KLK7 (0.64) KLK7KLK5MAPTCTSKSYK
SCHEMBL30544856 0.81 KLK7 (0.63) KLK7KLK5MAPTSYKITGB3
SCHEMBL27497192 0.81 KLK7 (0.63) KLK7KLK5MAPTSYKITGB3

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-20230148070-A1 AMINO ACID DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2023-05-11 — — 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-20230148070-A1 AMINO ACID DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS GLUL, TAS2R5, ARGLU1 KLK7 3332/4885KLK5 1558/4885MAPT 3009/4885

“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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