SCHEMBL4348972

SCHEMBL4348972

O=C(CC(=O)N[C@H](Cc1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1)N[C@H](Cc1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTRB1 P17538 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
CYP1A2 P05177 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CTSC P53634 1/20 0.40

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
SCHEMBL4330746 0.89 NPSR1 (0.45) NPC1RAB9ACTRB1SMN1; SMN2CYP1A2
SCHEMBL4341539 0.86 NPC1 (0.46) MMENPC1RAB9ACTRB1NPSR1
SCHEMBL4333077 0.84 PSMB8 (0.47) MMENPC1RAB9AALDH1A1PSMB8
SCHEMBL4335685 0.83 NPC1 (0.44) MMENPC1RAB9ACTRB1ALDH1A1
SCHEMBL4337814 0.83 CTRB1 (0.45) MMENPC1RAB9ACTRB1
SCHEMBL4339763 0.82 NPC1 (0.49) MMENPC1RAB9ACTRB1ALDH1A1
SCHEMBL1153947 0.81 CTRB1 (0.39) NPC1RAB9ACTRB1ALDH1A1CYP1A2
SCHEMBL4349557 0.81 KDM4E (0.50) MMENPC1RAB9ACTRB1ALDH1A1
SCHEMBL4337791 0.79 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2PSMB8
SCHEMBL1152965 0.79 ITGB1 (0.38) MMENPC1RAB9ACTRB1ALDH1A1

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 MME 3690/4885NPC1 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.