SCHEMBL4333077

SCHEMBL4333077

CC(C)C[C@@H](NC(=O)CC(=O)N[C@H](CC(C)C)C(O)(Cc1ccccc1)Cc1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.47
PSMB5 P28074 1/20 0.47
ACE P12821 1/20 0.46
CNR2 P34972 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MME P08473 1/20 0.42
ANPEP P15144 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MMP2 P08253 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 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
SCHEMBL4338140 0.89 PSMB8 (0.44) PSMB8PSMB5ACEALDH1A1MME
SCHEMBL4337718 0.85 GRN (0.43) PSMB8PSMB5MMEANPEPNPC1
SCHEMBL4348972 0.84 MME (0.45) PSMB8PSMB5ALDH1A1MMENPC1
SCHEMBL4337791 0.83 NPC1 (0.45) PSMB8PSMB5CNR2ALDH1A1NPC1
SCHEMBL1153189 0.82 ANPEP (0.40) PSMB8PSMB5ACEALDH1A1MME
SCHEMBL11102570 0.81 TAAR1 (0.43) PSMB8PSMB5LMNAANPEPMMP2
SCHEMBL4344035 0.80 TRPA1 (0.42) CNR2ALDH1A1MMENPC1RAB9A
SCHEMBL1153781 0.80 PSEN1 (0.40) PSMB8PSMB5ALDH1A1MMEANPEP
SCHEMBL1153610 0.80 MMP1 (0.42) PSMB8PSMB5ALDH1A1MMEANPEP
SCHEMBL1153966 0.79 MMP1 (0.41) PSMB8PSMB5ALDH1A1MMEANPEP

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 PSMB8 3927/4885PSMB5 4430/4885ACE 1264/4885

“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.