SCHEMBL4162336

SCHEMBL4162336

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.42
CTSK P43235 8/20 0.41
CTSS P25774 5/20 0.41
ACE P12821 1/20 0.41
PPARD Q03181 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4578073 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL703741 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1645172 0.88 SMN1; SMN2 (0.45) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1645174 0.88 SMN1; SMN2 (0.45) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1940630 0.87 CTSK (0.46) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL14031160 0.87 CTSK (0.46) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1940631 0.87 CTSK (0.46) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL13925030 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CTSKCTSSGAAKMT2A
SCHEMBL13925029 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CTSKCTSSGAAKMT2A
SCHEMBL1943040 0.85 CTSK (0.48) SMN1; SMN2PPARAPPARGCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036708-A1 Novel Process for the Preparation of Nonracemic Long Chain alpha-Amino Acid Derivatives WUXI PHARMATECH CO., LTD. (CN) 2009-02-05 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-20090036708-A1 Novel Process for the Preparation of Nonracemic Long Chain alpha-Amino Acid Derivatives AADAT, BCAT1, BCAT2 SMN1; SMN2 3463/4885PPARA 1608/4885PPARG 3806/4885

“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.