SCHEMBL4339899

SCHEMBL4339899

COc1ccc(C(O)(c2ccc(OC)cc2)[C@H](NC(=O)C(=O)N[C@H](c2ccc3ccccc3c2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MMP9 P14780 1/20 0.47
UTS2R Q9UKP6 6/20 0.47
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
ALOX5 P09917 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
SLC22A6 Q4U2R8 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
SCHEMBL4337165 0.90 UTS2R (0.47) NPC1RAB9AUTS2RGABBR2GABBR1
SCHEMBL4340505 0.89 NPC1 (0.46) NPC1RAB9AMMP9UTS2RGABBR2
SCHEMBL4339823 0.87 MMP9 (0.49) NPC1RAB9AMMP9UTS2RCYP1A2
SCHEMBL4337540 0.87 MMP9 (0.50) NPC1RAB9AMMP9UTS2RCYP1A2
SCHEMBL4344856 0.85 ALDH1A1 (0.48) NPC1RAB9AALDH1A1CYP3A4MEN1
SCHEMBL4348990 0.81 MMP9 (0.49) NPC1RAB9AMMP9GABBR2GABBR1
SCHEMBL4340513 0.79 KMT2A (0.50) NPC1RAB9AMTNR1AMTNR1BALDH1A1
SCHEMBL809193 0.79 CYP1A2 (0.47) NPC1RAB9AUTS2RGABBR2GABBR1
SCHEMBL809194 0.79 CYP1A2 (0.47) NPC1RAB9AUTS2RGABBR2GABBR1
SCHEMBL4345847 0.78 MMP9 (0.56) MMP9UTS2RCYP1A2TSHRMEN1

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 1472/4885MMP9 4140/4885

“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.