SCHEMBL4337375

SCHEMBL4337375

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MMP9 P14780 1/20 0.40
UTS2R Q9UKP6 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
UGT2B7 P16662 1/20 0.37
KAT6A Q92794 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
KEAP1 Q14145 1/20 0.36

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
SCHEMBL4336545 0.91 MMP9 (0.43) MMP9UTS2RALDH1A1SMN1; SMN2UGT2B7
SCHEMBL4339823 0.89 MMP9 (0.49) NPC1RAB9AMMP9UTS2RALDH1A1
SCHEMBL4340505 0.88 NPC1 (0.46) NPC1RAB9AMMP9UTS2RALDH1A1
SCHEMBL4334266 0.86 RAB9A (0.45) NPC1RAB9AMMP9UTS2RALDH1A1
SCHEMBL4338623 0.84 LMNA (0.48) ALDH1A1LMNASMN1; SMN2GAAHTT
SCHEMBL4344623 0.83 MMP9 (0.47) MMP9UTS2RALDH1A1SMN1; SMN2UGT2B7
SCHEMBL808976 0.83 MMP9 (0.47) MMP9UTS2RALDH1A1SMN1; SMN2UGT2B7
SCHEMBL4344455 0.79 MMP9 (0.43) MMP9UTS2RUGT2B7MEN1KMT2A
SCHEMBL4345709 0.78 KCNJ11 (0.40) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL808743 0.78 KCNJ11 (0.40) NPC1RAB9AALDH1A1LMNAGAA

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 NPC1 3582/4885RAB9A 1472/4885MMP9 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.