SCHEMBL5887203

SCHEMBL5887203

CC(C)OC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.49
CTSK P43235 6/20 0.49
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
KLK5 Q9Y337 1/20 0.46
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.43
EPHX2 P34913 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
AKT1 P31749 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
SCHEMBL5887200 1.00 CTSS (0.49) CTSSCTSKCTSBCTSLITGB3
SCHEMBL5887534 0.90 CTSS (0.53) CTSSCTSKCTSBCTSLITGB3
SCHEMBL5887530 0.90 CTSS (0.53) CTSSCTSKCTSBCTSLITGB3
SCHEMBL16459371 0.89 PPARA (0.51) CTSSCTSKCTSBCTSLITGB3
SCHEMBL16470394 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLITGB3
SCHEMBL16459373 0.89 PPARA (0.51) CTSSCTSKCTSBCTSLITGB3
SCHEMBL31571430 0.88 KLK5 (0.57) CTSSCTSKCTSBCTSLITGB3
SCHEMBL1133288 0.88 KLK5 (0.57) CTSSCTSKCTSBCTSLITGB3
SCHEMBL1133286 0.88 KLK5 (0.57) CTSSCTSKCTSBCTSLITGB3
SCHEMBL5887479 0.88 CTSS (0.63) CTSSCTSKCTSBCTSLITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2430/4885CTSB 1100/4885

“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.