SCHEMBL4337704

SCHEMBL4337704

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MMP9 P14780 1/20 0.41
UGT2B7 P16662 1/20 0.38
UTS2R Q9UKP6 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL4344455 0.90 MMP9 (0.43) SLC6A2SLC6A4SLC6A3MMP9UGT2B7
SCHEMBL4345840 0.88 MMP9 (0.50) SLC6A2SLC6A4SLC6A3MMP9UGT2B7
SCHEMBL4343683 0.87 MMP9 (0.43) SLC6A2SLC6A4SLC6A3MMP9UGT2B7
SCHEMBL4344310 0.84 RIPK1 (0.43) MEN1KMT2ACYP2D6TSHRCYP1A2
SCHEMBL808976 0.84 MMP9 (0.47) SLC6A2SLC6A4SLC6A3MMP9UGT2B7
SCHEMBL4344623 0.84 MMP9 (0.47) SLC6A2SLC6A4SLC6A3MMP9UGT2B7
SCHEMBL5464498 0.84 UTS2R (0.44) SLC6A2SLC6A4SLC6A3MMP9UTS2R
SCHEMBL4336545 0.80 MMP9 (0.43) SLC6A2SLC6A4SLC6A3MMP9UGT2B7
SCHEMBL4335878 0.78 MMP9 (0.52) SLC6A2SLC6A4SLC6A3MMP9UGT2B7
SCHEMBL4342689 0.78 LMNA (0.40) ALDH1A1

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 SLC6A2 2607/4885SLC6A4 2470/4885SLC6A3 1876/4885

“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.