SCHEMBL4338144

SCHEMBL4338144

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.42
PLA2G10 O15496 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CNR1 P21554 3/20 0.38
ALDH1A1 P00352 2/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.36
CERT1 Q9Y5P4 1/20 0.36

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
SCHEMBL14902202 0.90 MME (0.39) MMEPLA2G10TAS1R3TAS1R1CNR1
SCHEMBL20438368 0.88 PLA2G10 (0.44) MMEPLA2G10ALDH1A1LMNA
SCHEMBL10902934 0.87 ALDH1A1 (0.49) MMEPLA2G10TAS1R3TAS1R1CNR1
SCHEMBL10902941 0.87 ALDH1A1 (0.49) MMEPLA2G10TAS1R3TAS1R1CNR1
SCHEMBL4341862 0.84 TAS1R3 (0.42) MMETAS1R3TAS1R1CNR1ALDH1A1
SCHEMBL21609362 0.84 PLA2G10 (0.51) MMEPLA2G10TAS1R3TAS1R1HDAC6
SCHEMBL27105837 0.84 PLA2G10 (0.47) MMEPLA2G10TAS1R3TAS1R1ALDH1A1
SCHEMBL25291547 0.82 ALDH1A1 (0.42) MMEPLA2G10TAS1R3TAS1R1CNR1
SCHEMBL11073459 0.82 ALDH1A1 (0.52) MMETAS1R3TAS1R1CNR1ALDH1A1
SCHEMBL3306198 0.82 ALDH1A1 (0.42) MMEPLA2G10TAS1R3TAS1R1CNR1

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 MME 3690/4885PLA2G10 2533/4885TAS1R3 2130/4885

“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.