SCHEMBL4332783

SCHEMBL4332783

O=C(N[C@H](Cc1ccccc1)C1(O)CCCCC1)C(=O)N[C@H](Cc1ccccc1)C1(O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
ITGB1 P05556 7/20 0.43
ITGA4 P13612 7/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CCR1 P32246 1/20 0.41
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
MME P08473 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
SCHEMBL4342743 0.98 ITGB1 (0.43) MMP1ITGB1ITGA4NPC1RAB9A
SCHEMBL4344292 0.95 NPC1 (0.42) MMP1ITGB1ITGA4NPC1RAB9A
SCHEMBL4344819 0.90 MMP1 (0.43) MMP1ITGB1ITGA4NPC1RAB9A
SCHEMBL4335828 0.88 MME (0.43) MMP1ITGB1ITGA4NPC1RAB9A
SCHEMBL1152902 0.87 MMP1 (0.44) MMP1ITGB1ITGA4NPC1RAB9A
SCHEMBL1153598 0.87 MMP1 (0.44) MMP1ITGB1ITGA4NPC1RAB9A
SCHEMBL1153888 0.87 MMP1 (0.44) MMP1ITGB1ITGA4NPC1RAB9A
SCHEMBL1153623 0.87 MMP1 (0.44) MMP1ITGB1ITGA4NPC1RAB9A
SCHEMBL1153676 0.86 MMP1 (0.44) MMP1ITGB1ITGA4NPC1RAB9A
SCHEMBL1153931 0.86 MMP1 (0.44) MMP1ITGB1ITGA4NPC1RAB9A

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 4407/4885ITGB1 1633/4885ITGA4 1428/4885

“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.