SCHEMBL4341850

SCHEMBL4341850

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TRPA1 O75762 1/20 0.42
HIF1A Q16665 1/20 0.42
FDPS P14324 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 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
SCHEMBL4337791 0.88 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4340539 0.85 TRPA1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2C9
SCHEMBL4339578 0.83 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4338140 0.82 PSMB8 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1152959 0.82 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11101887 0.80 TAAR1 (0.47) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL1154099 0.79 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1153786 0.79 ALDH1A1 (0.41) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL1152563 0.78 ALDH1A1 (0.41) NPC1RAB9AALDH1A1HTTHPGD
SCHEMBL4330746 0.78 NPSR1 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 NPC1 3582/4885RAB9A 1472/4885SMN1; SMN2 4102/4885

“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.