SCHEMBL4338656

SCHEMBL4338656

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C9 P11712 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL4337795 0.84 MMP1 (0.30)
SCHEMBL4332970 0.83 ALDH1A1 (0.34) MEN1FAAHMAPK1KMT2APIK3CD
SCHEMBL4344354 0.78 CYP3A4 (0.34) PIK3CDCYP2C9
SCHEMBL4344244 0.78 MEN1 (0.31) MEN1FAAHMAPK1KMT2APIK3CD
SCHEMBL4344273 0.77 ALDH1A1 (0.34) MEN1KMT2A
SCHEMBL4335835 0.76 PIK3CD (0.39) MEN1FAAHMAPK1KMT2APIK3CD
SCHEMBL4335697 0.74 CA1 (0.31) PIK3CDL3MBTL1
SCHEMBL1153396 0.74 CYP3A4 (0.39) CYP2C9
SCHEMBL1154028 0.71 CYP3A4 (0.37) CYP2C9
SCHEMBL1154005 0.71 CYP3A4 (0.37) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP 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-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 MEN1 1168/4885FAAH 675/4885MAPK1 1770/4885

“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.