SCHEMBL4338097

SCHEMBL4338097

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.45
OPRK1 P41145 2/20 0.44
GPR88 Q9GZN0 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
RIPK1 Q13546 1/20 0.43
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL1720123 0.86 MAPK1 (0.43) MAPK1OPRK1GPR88LMNAHTT
SCHEMBL8540917 0.86 LMNA (0.49) MAPK1OPRK1GPR88LMNAHTT
SCHEMBL4536126 0.86 MAPK1 (0.43) MAPK1OPRK1GPR88LMNAHTT
SCHEMBL8540915 0.86 LMNA (0.49) MAPK1OPRK1GPR88LMNAHTT
SCHEMBL1720120 0.86 MAPK1 (0.43) MAPK1OPRK1GPR88LMNAHTT
SCHEMBL1953208 0.85 MAPK1 (0.48) MAPK1OPRK1GPR88LMNAHTT
SCHEMBL4337140 0.85 MAPK1 (0.47) MAPK1OPRK1GPR88LMNAHTT
SCHEMBL4344867 0.85 RIPK1 (0.50) MAPK1OPRK1GPR88LMNAHTT
SCHEMBL4337659 0.85 CNR1 (0.43) OPRK1LMNAHTTRIPK1CNR1
SCHEMBL16830004 0.82 LMNA (0.51) MAPK1OPRK1GPR88LMNAHTT

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 1770/4885OPRK1 856/4885GPR88 3058/4885

“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.