SCHEMBL13596341

SCHEMBL13596341

CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
FPR2 P25090 2/20 0.33
ATM Q13315 1/20 0.33
CNR1 P21554 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL13595467 0.83 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8354230 0.79 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL18771491 0.79 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19776964 0.79 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12372143 0.79 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL18771471 0.79 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL23894012 0.79 ALDH1A1 (0.38) MEN1KMT2AALDH1A1L3MBTL1CTSS
SCHEMBL9502850 0.78 ALDH1A1 (0.66) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8354598 0.78 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12537194 0.78 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1

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-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 MEN1 3422/4885KMT2A 3822/4885SMN1; SMN2 2012/4885

“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.