SCHEMBL4339726

SCHEMBL4339726

C[C@@H](NC(=O)CC(=O)N[C@H](C)C1(O)CCC1)C1(O)CCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
MME P08473 1/20 0.33
EPHX2 P34913 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL4338671 0.96 MME (0.36) RXFP1POLBCYP3A4GAACYP2C19
SCHEMBL4331086 0.94 RXFP1 (0.39) RXFP1POLBCYP3A4GAACYP2C19
SCHEMBL4343673 0.83 CYP1A2 (0.33) CYP2C19MMEALDH1A1
SCHEMBL4336418 0.80 MME (0.34) RXFP1MMEALDH1A1CHRM5CHRM3
SCHEMBL4335597 0.78 MME (0.34) CYP2C19MMEALDH1A1
SCHEMBL24847147 0.78 ALDH1A1 (0.37) POLBCYP3A4GAACYP2C19EPHX2
SCHEMBL1153803 0.78 MME (0.32) MMEALDH1A1
SCHEMBL1153688 0.78 MME (0.32) MMEALDH1A1
SCHEMBL4337131 0.77 ALDH1A1 (0.33) RXFP1ALDH1A1MEN1KMT2A
SCHEMBL4332599 0.77 MME (0.33) CYP2C19MMEALDH1A1

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 RXFP1 4279/4885POLB 1550/4885CYP3A4 871/4885

“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.