SCHEMBL4337718

SCHEMBL4337718

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
PSMB5 P28074 3/20 0.42
PSMB8 P28062 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MME P08473 1/20 0.40
ANPEP P15144 1/20 0.40
MMP8 P22894 3/20 0.40
TRPA1 O75762 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTRA1 Q92743 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
SCHEMBL4335685 0.87 NPC1 (0.44) MMEMMP8NPC1RAB9A
SCHEMBL4338140 0.87 PSMB8 (0.44) PSMB5PSMB8MMEANPEPMMP8
SCHEMBL4333077 0.85 PSMB8 (0.47) PSMB5PSMB8MMP2MMEANPEP
SCHEMBL4340539 0.84 TRPA1 (0.42) MMP8TRPA1NPC1RAB9A
SCHEMBL4335651 0.81 TRPA1 (0.44) MMP1MMP8TRPA1NPC1RAB9A
SCHEMBL1153189 0.80 ANPEP (0.40) GRNSORT1PSMB5PSMB8MMP1
SCHEMBL4337146 0.79 CTSL (0.41) PSMB5PSMB8MMP1MMP2MMP3
SCHEMBL4330929 0.79 TRPA1 (0.41) MMP1MMP8TRPA1NPC1RAB9A
SCHEMBL11102570 0.79 TAAR1 (0.43) PSMB5PSMB8MMP1MMP2MMP3
SCHEMBL4344350 0.78 OPRK1 (0.48) MMP8

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 GRN 3969/4885SORT1 4851/4885PSMB5 4430/4885

“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.