SCHEMBL4337540

SCHEMBL4337540

O=C(N[C@H](c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.50
UGT2B7 P16662 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
GPR88 Q9GZN0 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL4339823 0.89 MMP9 (0.49) MMP9UGT2B7NPC1RAB9AMEN1
SCHEMBL4343597 0.89 UTS2R (0.43) MMP9MAPTRAB9AMEN1CYP1A2
SCHEMBL4339899 0.87 NPC1 (0.49) MMP9NPC1MAPTRAB9AMEN1
SCHEMBL4336545 0.86 MMP9 (0.43) MMP9UGT2B7MAPTMEN1CYP1A2
SCHEMBL4350882 0.82 LMNA (0.45) MMP9MEN1CYP2D6KMT2AHDAC1
SCHEMBL4345847 0.82 MMP9 (0.56) MMP9UGT2B7MEN1CYP1A2CYP2D6
SCHEMBL4341527 0.79 MMP9 (0.47) MMP9MAPTCYP2D6TSHRUTS2R
SCHEMBL4334266 0.79 RAB9A (0.45) MMP9NPC1RAB9AMEN1CYP1A2
SCHEMBL4335878 0.78 MMP9 (0.52) MMP9UGT2B7MEN1CYP1A2CYP2D6
SCHEMBL4337375 0.78 NPC1 (0.44) MMP9UGT2B7NPC1RAB9AMEN1

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 MMP9 4140/4885UGT2B7 2124/4885NPC1 3582/4885

“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.