SCHEMBL7661602

SCHEMBL7661602

CC(C)(C)OC(=O)CN(CCBr)[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.40
CTSK P43235 2/20 0.39
CTSS P25774 1/20 0.39
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
NPR3 P17342 1/20 0.36
TSHR P16473 1/20 0.36
CASR P41180 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL7661604 1.00 AKT1 (0.40) AKT1CTSKCTSSITGA4ITGB7
SCHEMBL8518220 0.92 AKT1 (0.41) AKT1CTSKCTSSTSHRCASR
SCHEMBL8518225 0.92 AKT1 (0.41) AKT1CTSKCTSSTSHRCASR
SCHEMBL8579974 0.90 CTSK (0.40) AKT1CTSKCTSSITGA4ITGB7
SCHEMBL7601470 0.88 AKT1 (0.42) AKT1CTSKCTSSITGA4ITGB7
SCHEMBL6432521 0.84 PPARA (0.43) AKT1CTSSL3MBTL1
SCHEMBL8397586 0.82 AKT1 (0.43) AKT1CTSKCTSSITGA4ITGB7
SCHEMBL7666444 0.79 ATM (0.40) AKT1CTSKCTSSITGA4ITGB7
SCHEMBL7656204 0.79 PPARA (0.46) AKT1CTSSL3MBTL1
SCHEMBL7595591 0.78 ITGA4 (0.41) CTSKCTSSITGA4ITGB7TSHR

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-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
US-6403055-B1 CARBOXYLATED POLYAMINE COMPOUND DIBRA S.P.A. (IT) 2002-06-11 US 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-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 AKT1 4777/4885CTSK 3528/4885CTSS 2988/4885

“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.