SCHEMBL4337724

SCHEMBL4337724

COc1ccccc1C(O)(c1ccccc1OC)[C@@H](Cc1ccccc1)NC(=O)CC(=O)N[C@H](Cc1ccccc1)C(O)(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
FPR2 P25090 1/20 0.43
CAPN1 P07384 2/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PPARG P37231 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40

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
SCHEMBL4349532 0.91 CTRB1 (0.46) CTRB1MEN1KMT2AALDH1A1GAA
SCHEMBL4334553 0.88 CTRB1 (0.43) CTRB1MEN1KMT2AALDH1A1GAA
SCHEMBL1153087 0.84 ALDH1A1 (0.42) CTRB1MEN1KMT2AALDH1A1GAA
SCHEMBL4337872 0.84 ANPEP (0.44) MEN1KMT2AALDH1A1GAA
SCHEMBL1152980 0.83 ITGA4 (0.44) ALDH1A1GAAITGA4ITGB7
SCHEMBL1153052 0.83 ITGA4 (0.42) CTRB1ALDH1A1GAAITGA4ITGB7
SCHEMBL1154269 0.82 ITGA4 (0.43) ALDH1A1GAAITGA4ITGB7
SCHEMBL4340530 0.80 GAA (0.45) MEN1KMT2AALDH1A1GAA
SCHEMBL4340484 0.80 CNR2 (0.50) CTRB1MEN1KMT2AALDH1A1FPR2
SCHEMBL4339894 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1GAA

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 CTRB1 3395/4885MEN1 1168/4885KMT2A 1798/4885

“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.