SCHEMBL6428086

SCHEMBL6428086

CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.70
NMBR P28336 3/20 0.68
MAPT P10636 3/20 0.67
GAA P10253 1/20 0.67
HTT P42858 1/20 0.67
LMNA P02545 1/20 0.65
KLK7 P49862 1/20 0.64
CTSL P07711 1/20 0.62
CTSS P25774 1/20 0.62
CTSK P43235 1/20 0.62
ACE P12821 1/20 0.61
CASP1 P29466 1/20 0.58
SSTR1 P30872 1/20 0.58
CA2 P00918 1/20 0.57
LNPEP Q9UIQ6 1/20 0.57
TP53 P04637 1/20 0.57
KLK5 Q9Y337 1/20 0.57

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
SCHEMBL16463031 0.93 NMBR (0.64) TACR1NMBRMAPTGAAHTT
SCHEMBL16463033 0.93 NMBR (0.64) TACR1NMBRMAPTGAAHTT
SCHEMBL29397912 0.92 TACR1 (0.82) TACR1NMBRMAPTGAAHTT
SCHEMBL5355362 0.92 TACR1 (0.82) TACR1NMBRMAPTGAAHTT
SCHEMBL16464197 0.92 TACR1 (0.82) TACR1NMBRMAPTGAAHTT
SCHEMBL8697113 0.92 TACR1 (0.82) TACR1NMBRMAPTGAAHTT
SCHEMBL4061921 0.92 NMBR (0.66) TACR1NMBRMAPTGAAHTT
SCHEMBL20509877 0.90 NMBR (0.69) TACR1NMBRMAPTGAAHTT
SCHEMBL21954243 0.90 NMBR (0.69) TACR1NMBRMAPTGAAHTT
SCHEMBL21954242 0.90 NMBR (0.69) TACR1NMBRMAPTGAAHTT

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
EP-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 EP disclosed
US-6509324-B1 Use as contrast agents in magnetic resonance imaging BRACCO S.P.A. (IT) 2003-01-21 US disclosed
US-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2003-01-16 US disclosed
US-6403055-B1 CARBOXYLATED POLYAMINE COMPOUND DIBRA S.P.A. (IT) 2002-06-11 US disclosed
EP-1155023-A1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.p.A. (IT) 2001-11-21 EP disclosed
WO-2001046207-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2001-06-28 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-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS MPI, SLC39A14, LRPPRC TACR1 1402/4885NMBR 718/4885MAPT 1243/4885

“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.