SCHEMBL6430686

SCHEMBL6430686

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.56
CTSL P07711 2/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
MAPT P10636 3/20 0.53
TP53 P04637 1/20 0.53
ACE P12821 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.50
HCRTR1 O43613 1/20 0.50
KMT2A Q03164 1/20 0.50
SSTR3 P32745 1/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 1/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7430601 0.94 TACR1 (0.58) TACR1CTSLCTSSCTSKMAPT
SCHEMBL7430608 0.94 TACR1 (0.58) TACR1CTSLCTSSCTSKMAPT
SCHEMBL7433229 0.93 PKM (0.56) TACR1CTSLCTSSCTSKMAPT
SCHEMBL7433228 0.93 PKM (0.56) TACR1CTSLCTSSCTSKMAPT
SCHEMBL8553442 0.91 ACE (0.61) TACR1CTSLCTSSCTSKMAPT
SCHEMBL7434878 0.91 ACE (0.61) TACR1CTSLCTSSCTSKMAPT
SCHEMBL4842426 0.86 TACR1 (0.55) TACR1CTSLCTSSCTSKMAPT
SCHEMBL23901489 0.84 TACR1 (0.58) TACR1CTSLCTSSCTSKMAPT
SCHEMBL25453628 0.84 TACR1 (0.58) TACR1CTSLCTSSCTSKMAPT
SCHEMBL6255378 0.84 TACR1 (0.54) TACR1CTSLCTSSCTSKMAPT

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 1402/4885CTSL 2793/4885CTSS 2634/4885

“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.