SCHEMBL4337694

SCHEMBL4337694

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nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
PIK3CD O00329 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
TAS1R2 Q8TE23 3/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31

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
SCHEMBL2934387 0.81 ALDH1A1 (0.36) POLBCYP2C19ALDH1A1TSHRTAS1R3
SCHEMBL20279978 0.81 ALDH1A1 (0.37) POLBCYP3A4CYP2C9CYP2C19PIK3CD
SCHEMBL18730508 0.81 ALDH1A1 (0.36) POLBCYP2C19ALDH1A1TSHRTAS1R3
SCHEMBL4339773 0.79 CYP3A4 (0.34) POLBCYP3A4CYP2C9CYP2C19PIK3CD
SCHEMBL4335835 0.79 PIK3CD (0.39) POLBCYP3A4CYP2C9CYP2C19PIK3CD
SCHEMBL8540474 0.75 L3MBTL1 (0.33) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL25755212 0.75 CA2 (0.39) POLBCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL8540473 0.75 L3MBTL1 (0.33) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL4338091 0.74 POLB (0.32) POLBCYP3A4CYP2C9CYP2C19DPP4
SCHEMBL2544315 0.74 CA1 (0.52) TSHR

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 POLB 1550/4885CYP3A4 871/4885CYP2C9 1613/4885

“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.