SCHEMBL5887876

SCHEMBL5887876

CC(C)(C)OC(=O)C(Cc1ccc(Br)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MDM2 Q00987 2/20 0.47
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
CASP3 P42574 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL5887881 1.00 CTSS (0.48) CTSSCTSKMDM2MDM4TP53
SCHEMBL28741504 0.92 MDM4 (0.52) CTSSCTSKMDM2MDM4TP53
SCHEMBL28741502 0.92 MDM4 (0.52) CTSSCTSKMDM2MDM4TP53
SCHEMBL29351891 0.91 MDM4 (0.48) CTSSCTSKMDM2MDM4TP53
SCHEMBL1957887 0.91 MDM4 (0.48) CTSSCTSKMDM2MDM4TP53
SCHEMBL12568249 0.91 CTSS (0.52) CTSSCTSKMDM2MDM4TP53
SCHEMBL7338800 0.91 MDM4 (0.48) CTSSCTSKMDM2MDM4TP53
SCHEMBL29633851 0.91 MDM2 (0.48) MDM2MDM4TP53CASP3PTPN1
SCHEMBL12568250 0.91 CTSS (0.52) CTSSCTSKMDM2MDM4TP53
SCHEMBL5887493 0.90 MDM2 (0.47) MDM2MDM4TP53CASP3PTPN1

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-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 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 (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 2430/4885MDM2 605/4885

“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.