SCHEMBL4337146

SCHEMBL4337146

CC(C)C[C@@H](NC(=O)C(C)(C)C(=O)N[C@H](CC(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4341797 0.87 NPC1 (0.40) ALDH1A1CYP2C19SMN1; SMN2HPGDKIF11
SCHEMBL4339900 0.86 ALDH1A1 (0.44) ALDH1A1CYP2C19CYP2D6HSD17B10TP53
SCHEMBL4333073 0.84 ALDH1A1 (0.44) CTSLALDH1A1CYP2C19CYP2D6HSD17B10
SCHEMBL4340014 0.84 NPSR1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4345808 0.83 ALDH1A1 (0.43) CTSLALDH1A1HSD17B10LMNAGAA
SCHEMBL4337739 0.81 HDAC3 (0.44) ALDH1A1CYP2C19CYP2D6HSD17B10HDAC3
SCHEMBL4337718 0.79 GRN (0.43) MMP8PSMB8PSMB5MMP1MMP2
SCHEMBL1153439 0.78 CTSL (0.41) CTSLALDH1A1CYP2C19CYP2D6HSD17B10
SCHEMBL4344217 0.78 HDAC3 (0.42) ALDH1A1CYP2C19CYP2D6HSD17B10HDAC3
SCHEMBL4342045 0.78 GAA (0.43) ALDH1A1LMNAGAAHPGDHTT

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 CTSL 329/4885ALDH1A1 1303/4885CYP2C19 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.