SCHEMBL4332823

SCHEMBL4332823

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
RIPK1 Q13546 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR2 P34972 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.41
OPRK1 P41145 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ASAH1 Q13510 1/20 0.39

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
SCHEMBL4345791 0.89 LMNA (0.43) LMNAPOLBRIPK1MEN1KMT2A
SCHEMBL15270025 0.88 RIPK1 (0.46) LMNAPOLBRIPK1MEN1KMT2A
SCHEMBL4339737 0.88 RIPK1 (0.46) LMNAPOLBRIPK1MEN1KMT2A
SCHEMBL4341623 0.84 GPR88 (0.47) LMNAPOLBRIPK1MEN1KMT2A
SCHEMBL4338674 0.84 MMP9 (0.45) MEN1KMT2ATSHRCYP1A2CYP2D6
SCHEMBL4340482 0.83 CNR2 (0.46) LMNAMEN1KMT2AHTTCNR2
SCHEMBL4344867 0.83 RIPK1 (0.50) LMNAPOLBRIPK1MEN1KMT2A
SCHEMBL15289227 0.80 MAPT (0.56) MEN1KMT2AHTTCYP1A2CYP3A4
SCHEMBL1153544 0.80 RIPK1 (0.40) LMNAPOLBRIPK1MEN1KMT2A
SCHEMBL4343666 0.79 CNR2 (0.43) LMNAPOLBMEN1KMT2ATSHR

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 LMNA 193/4885POLB 1550/4885RIPK1 1943/4885

“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.