SCHEMBL4335710

SCHEMBL4335710

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.74
GPR88 Q9GZN0 7/20 0.50
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
EPHX2 P34913 2/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 3/20 0.48
MAPK13 O15264 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
PRKCG P05129 1/20 0.48
CDK1 P06493 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK1 P28482 1/20 0.48
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
CLK2 P49760 1/20 0.48

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
SCHEMBL12666568 0.90 RIPK1 (0.74) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL25587390 0.90 RIPK1 (0.74) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL25587388 0.90 RIPK1 (0.74) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL17874150 0.85 RIPK1 (1.00) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL17882274 0.85 RIPK1 (1.00) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL8070440 0.83 RIPK1 (0.65) RIPK1GPR88KCNQ3KCNQ2
SCHEMBL2981739 0.83 RIPK1 (0.65) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL2981738 0.83 RIPK1 (0.65) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL9973450 0.83 RIPK1 (0.65) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL4346530 0.82 GPR88 (0.57) RIPK1GPR88

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 1943/4885GPR88 3058/4885KCNQ3 1443/4885

“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.