SCHEMBL4332766

SCHEMBL4332766

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
PIK3CD O00329 1/20 0.35
MMP1 P03956 6/20 0.35
MMP3 P08254 6/20 0.35
MMP9 P14780 6/20 0.35
MMP2 P08253 6/20 0.35
MMP8 P22894 4/20 0.35
MMP13 P45452 3/20 0.35
MMP14 P50281 2/20 0.35
ADAM17 P78536 2/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MME P08473 1/20 0.33
PSMB5 P28074 2/20 0.33
KISS1R Q969F8 1/20 0.32
MAPT P10636 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
MMP7 P09237 2/20 0.32

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
SCHEMBL4337130 0.84 ALDH1A1 (0.38) ALDH1A1PIK3CDMMP1MMP3MMP9
SCHEMBL4348964 0.81 ALDH1A1 (0.35) ALDH1A1PIK3CDMMP1MMP3MMP9
SCHEMBL4344273 0.79 ALDH1A1 (0.34) ALDH1A1MMP1MMP3MMP9MMP2
SCHEMBL4337974 0.76 PSMB5 (0.34) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL1153730 0.75 CYP3A4 (0.34) ALDH1A1MEN1LMNAKMT2APSMB5
SCHEMBL4335835 0.75 PIK3CD (0.39) PIK3CDMEN1KMT2A
SCHEMBL1153595 0.72 PSEN1 (0.35) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL1153050 0.72 MME (0.34) ALDH1A1MMP1MMP3MMP2MEN1
SCHEMBL20438368 0.72 PLA2G10 (0.44) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL1152986 0.71 MME (0.33) ALDH1A1MEN1LMNAKMT2AMME

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 1303/4885PIK3CD 1982/4885MMP1 4407/4885

“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.