SCHEMBL12013740

SCHEMBL12013740

CN[C@H](C(=O)N(C)CC(=O)OC)[C@@H](C)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MLYCD O95822 1/20 0.31

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
SCHEMBL17208358 0.77 MLYCD (0.41) MEN1KMT2ATSHRMLYCD
SCHEMBL27848104 0.74 KMT2A (0.36) MEN1KMT2ATSHRMLYCD
SCHEMBL23965315 0.74 KMT2A (0.36) MEN1KMT2ATSHRMLYCD
SCHEMBL23109985 0.70 CA12 (0.31) MEN1KMT2A
SCHEMBL23109987 0.68 MEN1 (0.34) MEN1KMT2ATSHR
SCHEMBL13897445 0.67 TSHR (0.40) MEN1KMT2ATSHR
SCHEMBL23156918 0.67 — —
SCHEMBL2909351 0.66 MGAM (0.46) MEN1KMT2ATSHR
SCHEMBL27488643 0.66 TSHR (0.43) MEN1KMT2ATSHR
SCHEMBL13797928 0.66 CA14 (0.45) MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957518-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-12-09 — — EP disclosed
US-8252895-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2012-08-28 — — US disclosed
US-7872097-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2011-01-18 — — US disclosed
US-20100286033-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. 2010-11-11 — — US disclosed
US-20090170755-A1 Cyclic Peptide Compounds ASTELLAS PHARMA INC. (JP) 2009-07-02 — — 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 (2 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-20090170755-A1 Cyclic Peptide Compounds VIP, HAVCR2, EIF2AK2 MEN1 3591/4885KMT2A 3969/4885TSHR 2777/4885
US-20100286033-A1 NEW CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, EIF2AK2 MEN1 3864/4885KMT2A 4151/4885TSHR 2555/4885

“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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