SCHEMBL5659021

SCHEMBL5659021

CC(CN(CC(=O)O)CC(Cc1ccccc1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.38
OPRK1 P41145 3/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
CYP1A2 P05177 1/20 0.37
CPA1 P15085 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 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
SCHEMBL10051091 1.00 MAOB (0.42) MAOBNPC1RAB9AHPGDOPRK1
SCHEMBL29505895 0.88 CYP1A2 (0.43) MAOBCYP1A2CPA1CPB1CPA3
SCHEMBL13814007 0.88 NPC1 (0.36) MAOBNPC1RAB9A
SCHEMBL13814005 0.88 NPC1 (0.36) MAOBNPC1RAB9A
SCHEMBL1493215 0.88 NPC1 (0.36) MAOBNPC1RAB9A
SCHEMBL438373 0.88 NPC1 (0.36) MAOBNPC1RAB9A
SCHEMBL16801968 0.86 KMT2A (0.36) MAOBOPRK1OPRM1OPRD1
SCHEMBL3108023 0.84 TDP1 (0.42) MAOBOPRK1OPRM1OPRD1CYP1A2
SCHEMBL2999347 0.84 TDP1 (0.42) MAOBOPRK1OPRM1OPRD1CYP1A2
SCHEMBL2597563 0.84 TDP1 (0.42) MAOBOPRK1OPRM1OPRD1CYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1365813-A4 ASCORBIC ACID ANALOGS FOR METALLORADIOPHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-03-22 EP claimed
US-6713042-B2 BUFFERING REAGENTS, CHELATING AGENTS AND STABILIZERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US claimed
EP-1365813-A2 ASCORBIC ACID ANALOGS FOR METALLORADIOPHARMACEUTICALS Bristol-Myers Squibb Pharma Company (US) 2003-12-03 EP claimed
WO-2002067859-A3 ASCORBIC ACID ANALOGS FOR METALLORADIOPHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-28 WO claimed
WO-2002067859-A2 ASCORBIC ACID ANALOGS FOR METALLORADIOPHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-09-06 WO claimed
US-20020122769-A1 Ascorbic acid analogs for metalloradiopharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2002-09-05 US claimed
EP-1365813-A4 ASCORBIC ACID ANALOGS FOR METALLORADIOPHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-03-22 EP disclosed
US-6713042-B2 BUFFERING REAGENTS, CHELATING AGENTS AND STABILIZERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed
EP-1365813-A2 ASCORBIC ACID ANALOGS FOR METALLORADIOPHARMACEUTICALS Bristol-Myers Squibb Pharma Company (US) 2003-12-03 EP disclosed
WO-2002067859-A3 ASCORBIC ACID ANALOGS FOR METALLORADIOPHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-28 WO disclosed
WO-2002067859-A2 ASCORBIC ACID ANALOGS FOR METALLORADIOPHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-09-06 WO disclosed
US-20020122769-A1 Ascorbic acid analogs for metalloradiopharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2002-09-05 US 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-20020122769-A1 Ascorbic acid analogs for metalloradiopharmaceuticals SLC40A1, TTPA, SLC39A14 MAOB 919/4885NPC1 654/4885RAB9A 424/4885

“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.