SCHEMBL4339823

SCHEMBL4339823

Cc1ccc(C(O)(c2ccc(C)cc2)[C@H](NC(=O)C(=O)N[C@H](c2ccc3ccccc3c2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
UTS2R Q9UKP6 3/20 0.42
UGT2B7 P16662 1/20 0.40
KAT6A Q92794 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PDE2A O00408 1/20 0.38
CYP2A6 P11509 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4334266 0.90 RAB9A (0.45) MMP9NPC1RAB9ALMNAALDH1A1
SCHEMBL4337540 0.89 MMP9 (0.50) MMP9NPC1RAB9AUTS2RUGT2B7
SCHEMBL4337375 0.89 NPC1 (0.44) MMP9NPC1RAB9ALMNAALDH1A1
SCHEMBL4339899 0.87 NPC1 (0.49) MMP9NPC1RAB9AALDH1A1UTS2R
SCHEMBL4337416 0.83 LMNA (0.51) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL4345847 0.80 MMP9 (0.56) MMP9UTS2RUGT2B7MEN1KMT2A
SCHEMBL4336545 0.79 MMP9 (0.43) MMP9ALDH1A1SMN1; SMN2UTS2RUGT2B7
SCHEMBL4343597 0.78 UTS2R (0.43) MMP9RAB9ASMN1; SMN2UTS2RMEN1
SCHEMBL4337165 0.78 UTS2R (0.47) NPC1RAB9ALMNAALDH1A1UTS2R
SCHEMBL4335878 0.77 MMP9 (0.52) MMP9UTS2RUGT2B7MEN1KMT2A

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 MMP9 4140/4885NPC1 3582/4885RAB9A 1472/4885

“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.