SCHEMBL13640188

SCHEMBL13640188

COC(=O)[C@H]1NC(=O)[C@@H](C)CS[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ ALOX12 P18054 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 3/20 0.31
▸ PPARG P37231 2/20 0.31
▸ NR2E3 Q9Y5X4 2/20 0.31
▸ NCOR2 Q9Y618 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13640192 1.00 KMT2A (0.39) KMT2AALOX12NPSR1TDP1PPARG
SCHEMBL13640193 0.84 KMT2A (0.37) KMT2A
SCHEMBL15354843 0.82 KMT2A (0.35) KMT2A
SCHEMBL13640343 0.76 GAA (0.46) —
SCHEMBL15354849 0.76 GAA (0.46) —
SCHEMBL13640171 0.72 KMT2A (0.50) KMT2AALOX12NPSR1ALDH1A1
SCHEMBL7457973 0.71 KMT2A (0.36) KMT2ATDP1ALDH1A1
SCHEMBL13640164 0.69 KMT2A (0.43) KMT2AALOX12NPSR1
SCHEMBL16229721 0.67 KMT2A (0.44) KMT2AALOX12NPSR1ALDH1A1
SCHEMBL10410305 0.67 KMT2A (0.44) KMT2AALOX12NPSR1ALDH1A1

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-8568814-B2 Lanthionine derivatives AJINOMOTO CO., INC. (JP) 2013-10-29 — — US disclosed
US-20120282386-A1 LANTHIONINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2012-11-08 — — 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-20120282386-A1 LANTHIONINE DERIVATIVES CASR, KCNJ5, CALCR KMT2A 1148/4885ALOX12 2735/4885NPSR1 14/4885

“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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