SCHEMBL3882884

SCHEMBL3882884

CC(C)C[C@H](N)OBO.O=C(O)C(Cc1ccc2ncccc2c1)NC(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
GAA P10253 1/20 0.39
TACR2 P21452 1/20 0.38
CTSB P07858 2/20 0.37
CTSK P43235 2/20 0.37
CTSL P07711 2/20 0.37
CTSH P09668 1/20 0.37
CTSC P53634 1/20 0.37
CAPN1 P07384 1/20 0.37
POLB P06746 1/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 1/20 0.37
PSMA4 P25789 1/20 0.37
PSMB8 P28062 1/20 0.37

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
SCHEMBL5528017 0.87 CTSS (0.43) CTSSTAS1R3TAS1R1GAATACR2
SCHEMBL3199921 0.84 CTSS (0.56) CTSSGAACTSBCTSKCTSL
SCHEMBL3194104 0.82 CTSS (0.44) CTSSGAACTSLPOLBPSMB11
SCHEMBL5520908 0.82 PTPN1 (0.46) CTSSTAS1R3TAS1R1CTSBCTSK
SCHEMBL2302941 0.82 CTSS (0.44) CTSSGAACTSBCTSKCTSL
SCHEMBL2299523 0.82 CTSS (0.50) CTSSCTSLPOLBPSMB11PSMA7
SCHEMBL2302161 0.80 CTSS (0.45) CTSSGAACTSBCTSKCTSL
SCHEMBL5524933 0.80 TAS1R3 (0.42) TAS1R3TAS1R1KDM4ESMN1; SMN2HSD17B10
SCHEMBL15389344 0.79 CTSS (0.42) CTSSGAACTSBCTSKCTSL
SCHEMBL2295546 0.77 TAS1R3 (0.38) TAS1R3TAS1R1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531526-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-05 US disclosed
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
EP-1312609-B1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARM INC (US) 2005-12-28 EP disclosed
US-6617317-B1 Reducing the rate of degradation of proteins in an animal MILLENNIUM PHARMACEUTICALS, INC. 2003-09-09 US disclosed
US-6465433-B1 SUCH AS N-(2-PYRIDINE)CARBONYL-L-PHENYLALANINE-L-LEUCINE BORONIC ACID; PROTEASOME INHIBITORS; REDUCING RATE OF MUSCLE PROTEIN DEGRADATION MILLENNIUM PHARMACEUTICALS, INC. 2002-10-15 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 (3 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 CTSS 2481/4885TAS1R3 4301/4885TAS1R1 4268/4885
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B CTSS 2481/4885TAS1R3 4301/4885TAS1R1 4268/4885
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B CTSS 2481/4885TAS1R3 4301/4885TAS1R1 4268/4885

“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.