SCHEMBL13640317

SCHEMBL13640317

COC(=O)[C@@H](NC(=O)[C@H](CSC(C)=O)NC(=O)OC(C)(C)C)[C@@H](C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PSENEN Q9NZ42 5/20 0.39
▸ PSEN1 P49768 4/20 0.39
▸ PSEN2 P49810 4/20 0.39
▸ APH1B Q8WW43 4/20 0.39
▸ NCSTN Q92542 4/20 0.39
▸ APH1A Q96BI3 4/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ CTSS P25774 4/20 0.38
▸ CTSK P43235 4/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.37
▸ CTSD P07339 2/20 0.36
▸ REN P00797 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
SCHEMBL14416995 0.83 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTPSENEN
SCHEMBL18341304 0.83 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL18340826 0.83 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL18340827 0.83 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL14416977 0.82 PSENEN (0.42) PSENENPSEN1PSEN2APH1BNCSTN
SCHEMBL2408130 0.81 CTSK (0.55) CYP1A2CYP2C9CYP2C19HTTPSENEN
SCHEMBL2408132 0.81 CTSK (0.55) CYP1A2CYP2C9CYP2C19HTTPSENEN
SCHEMBL3058483 0.79 CTSK (0.41) CYP1A2CYP2C9CYP2C19HTTPSENEN
SCHEMBL10538884 0.79 SMN1; SMN2 (0.41) PSENENPSEN1PSEN2APH1BNCSTN
SCHEMBL5886446 0.78 CTSK (0.46) PSENENCTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524925-B1 LANTHIONINE DERIVATIVE AJINOMOTO KK (JP) 2016-08-17 — — EP disclosed
US-8568814-B2 Lanthionine derivatives AJINOMOTO CO., INC. (JP) 2013-10-29 — — US disclosed
EP-2524925-A1 LANTHIONINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2012-11-21 — — EP 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 CYP1A2 4081/4885CYP2C9 4005/4885CYP2C19 4199/4885

“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.

Send feedback