SCHEMBL4337829

SCHEMBL4337829

COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](Cc2ccccc2)NC(=O)C(C)(C)C(=O)N[C@H](Cc2ccccc2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.47
MMP3 P08254 3/20 0.47
MMP9 P14780 3/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
FPR2 P25090 1/20 0.46
CNR2 P34972 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
LDHA P00338 1/20 0.43
CTRB1 P17538 1/20 0.43
MMP13 P45452 1/20 0.43
KIF11 P52732 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4342119 0.89 PPARG (0.50) MMP1MMP3MMP9PPARGPPARA
SCHEMBL4340014 0.88 NPSR1 (0.48) LMNACTRB1NPC1RAB9A
SCHEMBL4340484 0.88 CNR2 (0.50) MMP1MMP3MMP9PPARGPPARA
SCHEMBL4344427 0.86 PSMB8 (0.42) PPARGPPARACNR2KMT2AMEN1
SCHEMBL1152949 0.82 PPARG (0.44) MMP1MMP3MMP9PPARGPPARA
SCHEMBL4345808 0.82 ALDH1A1 (0.43) MMP1MMP3KMT2AMEN1ALDH1A1
SCHEMBL1154129 0.81 KMT2A (0.43) MMP1MMP3MMP9PPARGPPARA
SCHEMBL1154001 0.81 KMT2A (0.43) MMP1MMP3MMP9PPARGPPARA
SCHEMBL4334553 0.81 CTRB1 (0.43) MMP1MMP3MMP9PPARGFPR2
SCHEMBL4330855 0.80 NPSR1 (0.44) MMP1MMP3ALDH1A1LMNACTRB1

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 MMP1 4407/4885MMP3 4511/4885MMP9 4140/4885

“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.