SCHEMBL6152839

SCHEMBL6152839

NCCCC[C@@H](NOC(C(=O)O)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
CPB2 Q96IY4 2/20 0.43
FOLH1 Q04609 1/20 0.41
TLR2 O60603 2/20 0.41
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
C3AR1 Q16581 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ANPEP P15144 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ECE1 P42892 1/20 0.39
CPB1 P15086 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
SCHEMBL5840489 1.00 MMP2 (0.49) MMP2MMP9CPB2FOLH1TLR2
SCHEMBL1087101 0.82 KMT2A (0.49) MMP2MMP9C3AR1CA1CA2
SCHEMBL1086444 0.82 KMT2A (0.49) MMP2MMP9C3AR1CA1CA2
SCHEMBL29017599 0.77 MMP2 (0.53) MMP2MMP9CPB2FOLH1TLR2
SCHEMBL7226850 0.76 MMP2 (0.50) MMP2MMP9CPB2TLR2ANPEP
SCHEMBL7226853 0.76 MMP2 (0.50) MMP2MMP9CPB2TLR2ANPEP
SCHEMBL8645817 0.76 MMP2 (0.47) MMP2MMP9FOLH1TLR2CA1
SCHEMBL22657404 0.75 MMP2 (0.52) MMP2MMP9CPB2FOLH1TLR2
SCHEMBL19100379 0.75 MMP2 (0.52) MMP2MMP9CPB2FOLH1TLR2
SCHEMBL9725920 0.75 MME (0.49) MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337532-B1 COMPOUND FOR CHELATING A METAL, RADIOPHARMACEUTICAL, MANUFACTURING PROCESS THEREFOR, AND DIAGNOSTIC KIT SCHERING AG (DE) 2005-05-11 EP disclosed
US-20040043920-A1 Compound for chelating a metal, radiopharmaceutical, manufacturing process therefor, and diagnostic kit SCHERING AG (DE) 2004-03-04 US disclosed
EP-1337532-A2 COMPOUND FOR CHELATING A METAL, RADIOPHARMACEUTICAL, MANUFACTURING PROCESS THEREFOR, AND DIAGNOSTIC KIT SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-27 EP disclosed
WO-2002044175-A2 COMPOUND FOR CHELATING A METAL, RADIOPHARMACEUTICAL, MANUFACTURING PROCESS THEREFOR, AND DIAGNOSTIC KIT SCHERING AKTIENGESELLSCHAFT (DE) 2002-06-06 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-20040043920-A1 Compound for chelating a metal, radiopharmaceutical, manufacturing process therefor, and diagnostic kit MC5R, SLC30A5, SENP5 MMP2 2635/4885MMP9 3575/4885CPB2 1647/4885

“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.