SCHEMBL8089159

SCHEMBL8089159

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CTSK P43235 10/20 0.43
CTSS P25774 9/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
ACE P12821 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PTPN1 P18031 1/20 0.40
LY96 Q9Y6Y9 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCL2 P10415 1/20 0.39

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
SCHEMBL13093610 0.89 CTSS (0.55) CTSKCTSSMMP2MMP3MMP7
SCHEMBL5155444 0.87 CTSS (0.48) ITGB3ITGA2BCTSKCTSSMMP2
SCHEMBL5887534 0.80 CTSS (0.53) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL5887530 0.80 CTSS (0.53) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL6676842 0.80 CTSK (0.57) CTSKCTSSMMP2MMP3MMP7
SCHEMBL8093013 0.79 CTSS (0.53) CTSKCTSSMMP2MMP3MMP7
SCHEMBL3901262 0.78 ACE (0.62) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL1201951 0.78 ACE (0.62) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL10077582 0.78 CTSS (0.53) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL606689 0.78 ACE (0.62) ITGB3ITGA2BCTSKCTSSCTSL

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-20100273835-A1 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2010-10-28 US disclosed
US-20100273835-A1 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2010-10-28 US disclosed
WO-2009007415-A2 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2009-01-15 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-20100273835-A1 NOVEL COMPOUNDS IL6, PREP, PEPD ITGB3 2622/4885ITGA2B 4071/4885CTSK 118/4885

“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.