SCHEMBL3795461

SCHEMBL3795461

NC(CCCCNC(=O)O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.53
EPHX1 P07099 1/20 0.48
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
ANPEP P15144 2/20 0.46
RNPEP Q9H4A4 2/20 0.46
DNPEP Q9ULA0 2/20 0.46
LAP3 P28838 2/20 0.45

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
SCHEMBL3508825 0.89 MMP2 (0.55) MMP2EPHX1ALPIPKMPTGS1
SCHEMBL16333820 0.83 MMP8 (0.44) ANPEPRNPEPDNPEPLAP3
SCHEMBL20466361 0.81 EPHX1 (0.73) MMP2EPHX1ALPIPKMPTGS1
SCHEMBL4302698 0.81 EPHX1 (0.73) MMP2EPHX1ALPIPKMPTGS1
SCHEMBL18065693 0.80 MMP2 (0.53) MMP2
SCHEMBL18065691 0.80 MMP2 (0.53) MMP2
SCHEMBL27295809 0.79 EPHX1 (0.70) MMP2EPHX1ALPIPKMPTGS1
SCHEMBL9182651 0.79 EPHX1 (0.70) MMP2EPHX1ALPIPKMPTGS1
SCHEMBL23477601 0.79 LTA4H (0.61) MMP2EPHX1ALPIPKMPTGS1
SCHEMBL7037786 0.79 LTA4H (0.61) MMP2EPHX1ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 US disclosed
US-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 US disclosed
EP-1572246-B1 NOVEL COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET SA (FR) 2009-02-25 EP disclosed
EP-1572246-A2 NOVEL COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET (FR) 2005-09-14 EP disclosed
US-20040253181-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2004-12-16 US disclosed
WO-2004058275-A2 COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET (FR) 2004-07-15 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-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives PHOSPHO1, SGMS2, PTEN MMP2 4848/4885EPHX1 1570/4885ALPI 2063/4885

“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.