SCHEMBL5887476

SCHEMBL5887476

CC(C)OC(=O)C(Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.63
CTSK P43235 6/20 0.63
CACNA1B Q00975 1/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
AAK1 Q2M2I8 2/20 0.46
KLK5 Q9Y337 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL16460175 1.00 CTSS (0.63) CTSSCTSKCACNA1BALDH1A1MAPT
SCHEMBL5887479 1.00 CTSS (0.63) CTSSCTSKCACNA1BALDH1A1MAPT
SCHEMBL16478950 0.90 CTSS (0.60) CTSSCTSKCACNA1BALDH1A1MAPT
SCHEMBL5887611 0.90 CTSS (0.68) CTSSCTSKCACNA1BALDH1A1MAPT
SCHEMBL5887609 0.90 CTSS (0.68) CTSSCTSKCACNA1BALDH1A1MAPT
SCHEMBL16459371 0.89 PPARA (0.51) CTSSCTSKCTSBCTSLITGB3
SCHEMBL16459373 0.89 PPARA (0.51) CTSSCTSKCTSBCTSLITGB3
SCHEMBL16470394 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLITGB3
SCHEMBL539218 0.88 CTSS (0.67) CTSSCTSKCACNA1BALDH1A1MAPT
SCHEMBL539217 0.88 CTSS (0.67) CTSSCTSKCACNA1BALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2014-01-09 US disclosed
US-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP 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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH CTSS 1702/4885CTSK 2430/4885CACNA1B 2657/4885
US-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS BCAT1, DNPEP, BCAT2 CTSS 724/4885CTSK 2248/4885CACNA1B 4262/4885

“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.