SCHEMBL4330718

SCHEMBL4330718

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
PAX8 Q06710 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
TGFBR1 P36897 3/20 0.34
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ASAH1 Q13510 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PRKCA P17252 1/20 0.31
SCN9A Q15858 2/20 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
SCHEMBL16648831 0.82 CNR1 (0.39) CNR1PAX8CA1CA2CA7
SCHEMBL4341764 0.82 MEN1 (0.38) CNR1PAX8CA1CA2CA7
SCHEMBL16348942 0.82 MAPT (0.42) CNR1PAX8CA1CA2CA7
SCHEMBL1120240 0.82 CNR1 (0.39) CNR1PAX8CA1CA2CA7
SCHEMBL11069078 0.82 MAPT (0.42) CNR1PAX8CA1CA2CA7
SCHEMBL14350678 0.82 MAPT (0.42) CNR1PAX8CA1CA2CA7
SCHEMBL1261511 0.82 CNR1 (0.39) CNR1PAX8CA1CA2CA7
SCHEMBL14285752 0.81 TGFBR1 (0.39) CNR1PAX8CA1CA2CA7
SCHEMBL14602145 0.81 TGFBR1 (0.39) CNR1PAX8CA1CA2CA7
SCHEMBL21126127 0.80 PAX8 (0.42) CNR1PAX8CA1CA2CA7

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 CNR1 936/4885PAX8 2256/4885CA1 2454/4885

“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.