SCHEMBL5520908

SCHEMBL5520908

CC(C)(C)OC(=O)NC(Cc1ccc2ncccc2c1)C(=O)O.CC(C)C[C@H](N)OBO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.46
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ACE P12821 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MAPK1 P28482 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
REN P00797 3/20 0.41
FCER2 P06734 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB5 P18084 1/20 0.40
CYP3A4 P08684 2/20 0.38
SCN9A Q15858 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL5781195 0.87 PTPN1 (0.57) PTPN1CTSBCTSSCTSKACE
SCHEMBL31407756 0.87 PTPN1 (0.57) PTPN1CTSBCTSSCTSKACE
SCHEMBL2300108 0.87 PTPN1 (0.57) PTPN1CTSBCTSSCTSKACE
SCHEMBL31407747 0.87 PTPN1 (0.57) PTPN1CTSBCTSSCTSKACE
SCHEMBL5524933 0.83 TAS1R3 (0.42) PTPN1TAS1R3TAS1R1FCER2
SCHEMBL2336223 0.83 ACE (0.58) CTSBCTSSCTSKACEMAPK1
SCHEMBL3882884 0.82 CTSS (0.41) CTSBCTSSCTSKTAS1R3TAS1R1
SCHEMBL2302860 0.80 PTPN1 (0.58) PTPN1ACEMAPK1ITGB3ITGA2B
SCHEMBL2302074 0.80 PTPN1 (0.42) PTPN1CTSBCTSSCTSKACE
SCHEMBL31407473 0.79 PTPN1 (0.57) PTPN1CTSBCTSSCTSKACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-06 US disclosed
US-7119080-B2 For use as inhibitors of proteasome; for reducing the rate of degradation of proteins in an animal MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
US-20060122390-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
US-6617317-B1 Reducing the rate of degradation of proteins in an animal MILLENNIUM PHARMACEUTICALS, INC. 2003-09-09 US disclosed
US-6066730-A Boronic ester and acid compounds, synthesis and uses PROSCRIPT, INC. 2000-05-23 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 (2 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-20060122390-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B PTPN1 1875/4885CTSB 461/4885CTSS 2481/4885
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B PTPN1 1875/4885CTSB 461/4885CTSS 2481/4885

“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.