SCHEMBL4339900

SCHEMBL4339900

CC(C)C[C@@H](NC(=O)C(=O)N[C@H](CC(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
MME P08473 3/20 0.41
ACE P12821 2/20 0.41
KCNN4 O15554 1/20 0.41
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
DUT P33316 1/20 0.40
LTA4H P09960 1/20 0.40
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 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
SCHEMBL4333073 0.89 ALDH1A1 (0.44) ALDH1A1CYP2D6CYP2C19HSD17B10TP53
SCHEMBL4337146 0.86 CTSL (0.41) ALDH1A1CYP2D6CYP2C19HSD17B10MMP9
SCHEMBL4343680 0.85 ANPEP (0.40) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL1153439 0.82 CTSL (0.41) ALDH1A1CYP2D6CYP2C19HSD17B10TP53
SCHEMBL4336517 0.81 ANPEP (0.45) ALDH1A1HSD17B10MMP9LMNA
SCHEMBL11100458 0.81 HSD17B10 (0.47) ALDH1A1CYP2D6CYP2C19HSD17B10TP53
SCHEMBL4339597 0.80 NPSR1 (0.53) CYP2C19HSD17B10MMP9MMP8MMP14
SCHEMBL1153629 0.80 CTSL (0.40) ALDH1A1CYP2D6CYP2C19HSD17B10TP53
SCHEMBL1152498 0.80 PSEN1 (0.41) ALDH1A1CYP2D6CYP2C19HSD17B10TP53
SCHEMBL13676357 0.79 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C19HSD17B10TP53

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 ALDH1A1 1303/4885CYP2D6 523/4885CYP2C19 1911/4885

“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.