SCHEMBL4334266

SCHEMBL4334266

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
UTS2R Q9UKP6 5/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MMP9 P14780 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
GAA P10253 1/20 0.39
HCRTR1 O43613 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4339823 0.90 MMP9 (0.49) RAB9ANPC1UTS2RCNR1CNR2
SCHEMBL4343597 0.90 UTS2R (0.43) RAB9AUTS2RMMP9SMN1; SMN2MEN1
SCHEMBL4337165 0.88 UTS2R (0.47) RAB9ANPC1UTS2RCNR2ALDH1A1
SCHEMBL4337375 0.86 NPC1 (0.44) RAB9ANPC1UTS2RCNR1CNR2
SCHEMBL4341509 0.84 LMNA (0.49) CNR1CNR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4346679 0.81 MMP9 (0.47) RAB9AUTS2RMMP9SMN1; SMN2ALDH1A1
SCHEMBL4338674 0.79 MMP9 (0.45) UTS2RMMP9MEN1KMT2ACYP1A2
SCHEMBL4337540 0.79 MMP9 (0.50) RAB9ANPC1UTS2RMMP9MEN1
SCHEMBL4338111 0.78 MEN1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4339899 0.78 NPC1 (0.49) RAB9ANPC1UTS2RMMP9ALDH1A1

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 RAB9A 1472/4885NPC1 3582/4885UTS2R 3206/4885

“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.