SCHEMBL4337974

SCHEMBL4337974

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.34
PLA2G10 O15496 3/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
PLA2G2A P14555 2/20 0.31
PLA2G5 P39877 2/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
ADRA1A P35348 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4335872 0.87 PLA2G2A (0.35) PSMB5PLA2G10ALDH1A1MEN1KMT2A
SCHEMBL4344273 0.85 ALDH1A1 (0.34) PSMB5PLA2G10ALDH1A1MEN1KMT2A
SCHEMBL4333029 0.82 TSHR (0.32) PLA2G10ALDH1A1LMNATSHRCYP3A4
SCHEMBL4332970 0.79 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AFAAHMAPK1
SCHEMBL1153325 0.78 SPHK1 (0.31) LMNATSHRCYP3A4NFKB1ADRA1A
SCHEMBL4332766 0.76 ALDH1A1 (0.36) PSMB5ALDH1A1MEN1KMT2ALMNA
SCHEMBL1153262 0.76 TSHR (0.31) LMNATSHRCYP3A4NFKB1ADRA1A
SCHEMBL1153562 0.76 PSEN1 (0.33) LMNATSHRCYP3A4NFKB1ADRA1A
SCHEMBL4335862 0.76 ALDH1A1 (0.32) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL1154254 0.75 TSHR (0.31) LMNATSHRCYP3A4NFKB1ADRA1A

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 PSMB5 4430/4885PLA2G10 2533/4885PRSS1 4218/4885

“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.