SCHEMBL4336554

SCHEMBL4336554

Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](Cc2ccccc2)NC(=O)C(=O)N[C@H](Cc2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.45
PSMB8 P28062 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CTRB1 P17538 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL4342152 0.90 PSMB8 (0.47) PSMB5PSMB8CNR1CNR2MEN1
SCHEMBL4339597 0.90 NPSR1 (0.53) NPSR1NPC1RAB9ACTRB1MAPK1
SCHEMBL4344427 0.88 PSMB8 (0.42) PSMB5PSMB8NPSR1CNR1CNR2
SCHEMBL4342119 0.85 PPARG (0.50) CNR2MEN1KMT2ANPC1RAB9A
SCHEMBL1152877 0.84 ATM (0.46) PSMB5PSMB8NPSR1CNR1CNR2
SCHEMBL1153524 0.82 ATM (0.44) PSMB5PSMB8CNR1CNR2MEN1
SCHEMBL1153600 0.82 ATM (0.44) PSMB5PSMB8CNR1CNR2MEN1
SCHEMBL4338161 0.82 NPSR1 (0.48) NPSR1MEN1KMT2ANPC1RAB9A
SCHEMBL1153369 0.81 ITGB1 (0.44) PSMB5PSMB8CNR1CNR2MEN1
SCHEMBL4343680 0.79 ANPEP (0.40) MEN1KMT2AGAANPC1RAB9A

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 PSMB5 4430/4885PSMB8 3927/4885NPSR1 2065/4885

“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.