SCHEMBL4333073

SCHEMBL4333073

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
ACE P12821 1/20 0.42
TP53 P04637 1/20 0.41
DUT P33316 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TTR P02766 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 1/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL4339900 0.89 ALDH1A1 (0.44) ALDH1A1LMNACYP2D6CYP2C19HSD17B10
SCHEMBL4338626 0.86 HPGD (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4337146 0.84 CTSL (0.41) ALDH1A1LMNACYP2D6CYP2C19HSD17B10
SCHEMBL4349008 0.82 ANPEP (0.44) ALDH1A1LMNAHSD17B10CTSL
SCHEMBL4340501 0.81 CYP2D6 (0.46) ALDH1A1LMNACYP2D6CYP2C19HSD17B10
SCHEMBL1153439 0.81 CTSL (0.41) ALDH1A1LMNACYP2D6CYP2C19HSD17B10
SCHEMBL4349557 0.81 KDM4E (0.50) ALDH1A1LMNAPSMB8PSMB5SMN1; SMN2
SCHEMBL11100458 0.80 HSD17B10 (0.47) ALDH1A1LMNACYP2D6CYP2C19HSD17B10
SCHEMBL4337880 0.79 CYP2D6 (0.44) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL1153629 0.79 CTSL (0.40) ALDH1A1LMNACYP2D6CYP2C19HSD17B10

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 1303/4885LMNA 193/4885CYP2D6 523/4885

“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.