SCHEMBL4371582

SCHEMBL4371582

CCOC(=O)[C@@H](C)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 4/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACE P12821 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 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
SCHEMBL5145676 1.00 CA2 (0.47) CA2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4367089 1.00 CA2 (0.47) CA2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4363617 1.00 CA2 (0.47) CA2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4367118 1.00 CA2 (0.47) CA2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5219151 1.00 CA2 (0.47) CA2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7357530 0.90 MEN1 (0.46) CA2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13814020 0.90 LMNA (0.44) MEN1KMT2ALMNAMAPTCRHBP
SCHEMBL7360017 0.90 MEN1 (0.46) CA2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13814017 0.90 LMNA (0.44) MEN1KMT2ALMNAMAPTCRHBP
SCHEMBL7357526 0.90 MEN1 (0.46) CA2MEN1KMT2ASMN1; SMN2NPC1

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-20090162290-A1 METHOD FOR THE SYNTHESIS OF PENTA-PENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIOCONJUGATES PREPARATION BY A COVALENT BINDING THEREOF THERAPHARM GMBH 2009-06-25 US disclosed
EP-1942949-A1 METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF Therapharm GmbH (CH) 2008-07-16 EP disclosed
WO-2007028639-A1 METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF THERAPHARM GMBH (CH) 2007-03-15 WO 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-20090162290-A1 METHOD FOR THE SYNTHESIS OF PENTA-PENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIOCONJUGATES PREPARATION BY A COVALENT BINDING THEREOF C5, C3AR1, SPR CA2 1448/4885MEN1 515/4885KMT2A 1952/4885

“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.