SCHEMBL5887609

SCHEMBL5887609

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.68
CTSK P43235 6/20 0.68
CACNA1B Q00975 1/20 0.54
CTSB P07858 2/20 0.52
CTSL P07711 1/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
ACE P12821 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
KLK5 Q9Y337 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
AAK1 Q2M2I8 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5887611 1.00 CTSS (0.68) CTSSCTSKCACNA1BCTSBCTSL
SCHEMBL2706238 0.93 CTSS (0.67) CTSSCTSKCACNA1BCTSBCTSL
SCHEMBL539217 0.93 CTSS (0.67) CTSSCTSKCACNA1BCTSBCTSL
SCHEMBL539218 0.93 CTSS (0.67) CTSSCTSKCACNA1BCTSBCTSL
SCHEMBL5887694 0.91 CTSS (0.64) CTSSCTSKCACNA1BCTSBCTSL
SCHEMBL5887691 0.91 CTSS (0.64) CTSSCTSKCACNA1BCTSBCTSL
SCHEMBL14884545 0.90 CTSS (0.63) CTSSCTSKCACNA1BCTSBCTSL
SCHEMBL5887479 0.90 CTSS (0.63) CTSSCTSKCACNA1BCTSBCTSL
SCHEMBL5887476 0.90 CTSS (0.63) CTSSCTSKCACNA1BCTSBCTSL
SCHEMBL16460175 0.90 CTSS (0.63) CTSSCTSKCACNA1BCTSBCTSL

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
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO 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 (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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH CTSS 1702/4885CTSK 2430/4885CACNA1B 2657/4885

“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.