SCHEMBL4886186

SCHEMBL4886186

COC(=O)C(Cc1ccc(Oc2ccc(COS(C)(=O)=O)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.49
KLK5 Q9Y337 1/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
CACNA1B Q00975 1/20 0.46
MMP13 P45452 1/20 0.45
ABCB1 P08183 1/20 0.45
PTPN1 P18031 2/20 0.44
YAP1 P46937 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PPARA Q07869 1/20 0.42

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
SCHEMBL1824802 0.85 KLK5 (0.52) BCL2KLK5ITGB3ITGA2BCTSS
SCHEMBL14885696 0.85 KLK5 (0.52) BCL2KLK5ITGB3ITGA2BCTSS
SCHEMBL1824223 0.85 KLK5 (0.52) BCL2KLK5ITGB3ITGA2BCTSS
SCHEMBL29103443 0.84 KLK5 (0.61) BCL2KLK5ITGB3ITGA2BCTSS
SCHEMBL2294118 0.84 KLK5 (0.61) BCL2KLK5ITGB3ITGA2BCTSS
SCHEMBL2294112 0.84 KLK5 (0.61) BCL2KLK5ITGB3ITGA2BCTSS
SCHEMBL29721250 0.84 KLK5 (0.61) BCL2KLK5ITGB3ITGA2BCTSS
SCHEMBL2293357 0.83 KLK5 (0.52) BCL2KLK5ITGB3ITGA2BCTSS
SCHEMBL4087401 0.83 KLK5 (0.54) BCL2KLK5ITGB3ITGA2BCTSS
SCHEMBL2292276 0.83 KLK5 (0.52) BCL2KLK5ITGB3ITGA2BCTSS

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-20080319031-A1 Novel Tyrosine Derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED 2008-12-25 US disclosed
EP-1858845-A2 NOVEL TYROSINE DERIVATIVES Orchid Chemicals and Pharmaceuticals Limited (IN) 2007-11-28 EP disclosed
WO-2006097809-A2 NOVEL TYROSINE DERIVATIVES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-09-21 WO 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-20080319031-A1 Novel Tyrosine Derivatives ABL1, LCK, TYRO3 BCL2 2159/4885KLK5 2087/4885ITGB3 1388/4885

“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.