SCHEMBL4332848

SCHEMBL4332848

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.60
EPHX2 P34913 2/20 0.55
ROCK2 O75116 4/20 0.54
ROCK1 Q13464 4/20 0.54
MAPK13 O15264 1/20 0.54
RPS6KA5 O75582 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
PRKCG P05129 1/20 0.54
CDK1 P06493 1/20 0.54
PRKACA P17612 1/20 0.54
RPS6KB1 P23443 1/20 0.54
CDK2 P24941 1/20 0.54
MAPK1 P28482 1/20 0.54
AKT1 P31749 1/20 0.54
AKT2 P31751 1/20 0.54
CLK2 P49760 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
IRAK1 P51617 1/20 0.54

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
SCHEMBL891888 0.92 RIPK1 (0.57) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL1703869 0.89 RIPK1 (0.54) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL3311541 0.88 RIPK1 (0.60) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL117597 0.88 RIPK1 (0.60) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL668277 0.88 RIPK1 (0.60) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL4337456 0.86 RIPK1 (0.58) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL23316729 0.84 RIPK1 (0.57) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL15586927 0.84 RIPK1 (0.57) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL18943048 0.84 RIPK1 (0.57) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL8582093 0.84 RIPK1 (0.61) RIPK1EPHX2ROCK2ROCK1MAPK13

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 RIPK1 1943/4885EPHX2 1937/4885ROCK2 1265/4885

“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.