SCHEMBL4339773

SCHEMBL4339773

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nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 3/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31
PIK3CD O00329 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL8540474 0.81 L3MBTL1 (0.33) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL8540473 0.81 L3MBTL1 (0.33) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL4337694 0.79 POLB (0.34) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL4344354 0.78 CYP3A4 (0.34) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL18730508 0.77 ALDH1A1 (0.36) CYP2C19TAS1R3TAS1R1TAS1R2POLB
SCHEMBL20279978 0.77 ALDH1A1 (0.37) CYP3A4CYP2C9CYP2C19POLBSMN1; SMN2
SCHEMBL2934387 0.77 ALDH1A1 (0.36) CYP2C19TAS1R3TAS1R1TAS1R2POLB
SCHEMBL4346526 0.76 POLB (0.30) POLB
SCHEMBL4335835 0.75 PIK3CD (0.39) CYP3A4CYP2C9CYP2C19POLBMEN1
SCHEMBL4349367 0.74 TSHR (0.34) CYP3A4CYP2C9CYP2C19MEN1LMNA

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 CYP3A4 871/4885CYP2C9 1613/4885CYP2C19 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.