SCHEMBL4344455

SCHEMBL4344455

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.43
SLC6A2 P23975 6/20 0.42
SLC6A4 P31645 6/20 0.42
SLC6A3 Q01959 6/20 0.42
RIPK1 Q13546 1/20 0.40
UGT2B7 P16662 1/20 0.40
KCNH2 Q12809 3/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
UTS2R Q9UKP6 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
SCHEMBL4337704 0.90 SLC6A2 (0.43) MMP9SLC6A2SLC6A4SLC6A3UGT2B7
SCHEMBL4335878 0.88 MMP9 (0.52) MMP9SLC6A2SLC6A4SLC6A3UGT2B7
SCHEMBL4338674 0.86 MMP9 (0.45) MMP9SLC6A2SLC6A4SLC6A3UGT2B7
SCHEMBL4344623 0.86 MMP9 (0.47) MMP9SLC6A2SLC6A4SLC6A3UGT2B7
SCHEMBL808976 0.86 MMP9 (0.47) MMP9SLC6A2SLC6A4SLC6A3UGT2B7
SCHEMBL5464498 0.86 UTS2R (0.44) MMP9SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4344867 0.84 RIPK1 (0.50) RIPK1CYP2D6MEN1CYP1A2TSHR
SCHEMBL4336545 0.82 MMP9 (0.43) MMP9SLC6A2SLC6A4SLC6A3UGT2B7
SCHEMBL4337375 0.79 NPC1 (0.44) MMP9UGT2B7CYP2D6MEN1CYP1A2
SCHEMBL4345840 0.77 MMP9 (0.50) MMP9SLC6A2SLC6A4SLC6A3UGT2B7

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 4140/4885SLC6A2 2607/4885SLC6A4 2470/4885

“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.