SCHEMBL4337659

SCHEMBL4337659

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
OPRK1 P41145 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.40
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4338623 0.91 LMNA (0.48) CNR1CNR2OPRK1LMNAHTT
SCHEMBL4339674 0.87 NPSR1 (0.46) CNR2HTTALDH1A1KMT2AMEN1
SCHEMBL4338097 0.85 MAPK1 (0.45) CNR1CNR2OPRK1LMNAHTT
SCHEMBL4336545 0.84 MMP9 (0.43) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL4350882 0.83 LMNA (0.45) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL4344867 0.81 RIPK1 (0.50) CNR1CNR2OPRK1LMNAHTT
SCHEMBL4343666 0.80 CNR2 (0.43) CNR1CNR2LMNAHTTALDH1A1
SCHEMBL4337739 0.80 HDAC3 (0.44) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL9826916 0.79 LMNA (0.66) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL4342161 0.79 HDAC3 (0.43) CNR1CNR2HDAC3HDAC4HDAC1

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 CNR1 936/4885CNR2 855/4885HDAC3 1222/4885

“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.