SCHEMBL4350833

SCHEMBL4350833

O=C(CC(=O)N[C@H](c1ccc2ccccc2c1)C(O)(Cc1ccccc1)Cc1ccccc1)N[C@H](c1ccc2ccccc2c1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.46
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
CNR2 P34972 4/20 0.41
GPR88 Q9GZN0 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MMP9 P14780 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL4341527 0.91 MMP9 (0.47) UTS2RGABRB1GABRB2CNR2GPR88
SCHEMBL5464498 0.86 UTS2R (0.44) UTS2RGABRB1GABRB2CNR2GPR88
SCHEMBL4340482 0.84 CNR2 (0.46) CNR2LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL4338674 0.84 MMP9 (0.45) UTS2RCYP2D6MMP9SLC6A2SLC6A4
SCHEMBL4343683 0.82 MMP9 (0.43) UTS2RCYP2D6MMP9LMNAGAA
SCHEMBL4343597 0.81 UTS2R (0.43) UTS2RGPR88CYP2D6MMP9GAA
SCHEMBL4346679 0.81 MMP9 (0.47) UTS2RCYP2D6MMP9KDM4EGAA
SCHEMBL808643 0.77 LMNA (0.45) CYP3A4KDM4ELMNAGAAHTT
SCHEMBL4344237 0.77 LMNA (0.45) CYP3A4KDM4ELMNAGAAHTT
SCHEMBL2787996 0.76 CASR (0.45) CYP3A4LMNAGAAALDH1A1CYP2C9

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 UTS2R 3206/4885GABRB1 3562/4885GABRB2 3474/4885

“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.