SCHEMBL13595461

SCHEMBL13595461

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
ANPEP P15144 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FPR2 P25090 2/20 0.36
ATM Q13315 1/20 0.36
ENPEP Q07075 8/20 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
SCHEMBL13596361 0.84 MEN1 (0.50) ALDH1A1L3MBTL1CTSSCTSKMME
SCHEMBL13888696 0.84 MEN1 (0.50) ALDH1A1L3MBTL1CTSSCTSKMME
SCHEMBL13888704 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1CTSSCTSKMME
SCHEMBL17323633 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1CTSSCTSKMME
SCHEMBL20697893 0.82 ALDH1A1 (0.63) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL20697894 0.82 ALDH1A1 (0.63) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL17323640 0.82 ALDH1A1 (0.63) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL21896518 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1CTSSCTSKMME
SCHEMBL20707087 0.81 CTSS (0.47) ALDH1A1L3MBTL1CTSSCTSKMME
SCHEMBL2735760 0.80 ENPEP (0.52) ALDH1A1L3MBTL1CTSSCTSKMME

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 ALDH1A1 692/4885L3MBTL1 4079/4885CTSS 3426/4885

“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.