SCHEMBL4337814

SCHEMBL4337814

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.45
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MME P08473 2/20 0.42
POLB P06746 1/20 0.42
CNR2 P34972 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL13970260 0.90 L3MBTL1 (0.47) CTRB1PRSS1CTSGCMA1NPC1
SCHEMBL4332917 0.90 NPC1 (0.45) CTRB1PRSS1CTSGCMA1NPC1
SCHEMBL4341539 0.88 NPC1 (0.46) CTRB1NPC1RAB9AMME
SCHEMBL4344209 0.86 CTRB1 (0.42) CTRB1PRSS1CTSGCMA1NPC1
SCHEMBL13970335 0.83 MMP8 (0.46) CTRB1POLB
SCHEMBL4348972 0.83 MME (0.45) CTRB1NPC1RAB9AMME
SCHEMBL1153797 0.82 MME (0.40) CTRB1PRSS1CTSGCMA1NPC1
SCHEMBL4339763 0.81 NPC1 (0.49) CTRB1PRSS1CTSGCMA1NPC1
SCHEMBL1154094 0.80 MME (0.43) CTRB1NPC1RAB9AMMEPOLB
SCHEMBL1153806 0.80 MME (0.41) CTRB1NPC1RAB9AMMEPOLB

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 CTRB1 3395/4885PRSS1 4218/4885CTSG 3687/4885

“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.