SCHEMBL4337140

SCHEMBL4337140

CC(C)(O)[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.47
GPR88 Q9GZN0 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45
OPRK1 P41145 2/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
RIPK1 Q13546 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1953208 0.89 MAPK1 (0.48) MAPK1GPR88LMNAHTTOPRK1
SCHEMBL4338097 0.85 MAPK1 (0.45) MAPK1GPR88LMNAHTTOPRK1
SCHEMBL4341623 0.85 GPR88 (0.47) MAPK1GPR88LMNAHTTOPRK1
SCHEMBL16830004 0.85 LMNA (0.51) MAPK1GPR88LMNAHTTOPRK1
SCHEMBL16830003 0.85 LMNA (0.51) MAPK1GPR88LMNAHTTOPRK1
SCHEMBL8540915 0.82 LMNA (0.49) MAPK1GPR88LMNAHTTOPRK1
SCHEMBL8540917 0.82 LMNA (0.49) MAPK1GPR88LMNAHTTOPRK1
SCHEMBL1720120 0.82 MAPK1 (0.43) MAPK1GPR88LMNAHTTOPRK1
SCHEMBL4536126 0.82 MAPK1 (0.43) MAPK1GPR88LMNAHTTOPRK1
SCHEMBL1720123 0.82 MAPK1 (0.43) MAPK1GPR88LMNAHTTOPRK1

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 MAPK1 1770/4885GPR88 3058/4885LMNA 193/4885

“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.