SCHEMBL10161073

SCHEMBL10161073

COC(=O)c1cc(C(=O)C(C)C)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 1/20 0.39
KDM4E B2RXH2 7/20 0.37
GAA P10253 2/20 0.37
DBH P09172 1/20 0.37
RECQL P46063 1/20 0.37
GSK3B P49841 2/20 0.37
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
DAO P14920 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL10161068 0.84 DAO (0.52) KDM4EGAADBHRECQLGSK3B
SCHEMBL70248 0.83 CA1 (0.47) CTPS1KDM4EGAAGSK3BLMNA
SCHEMBL8542214 0.82 CTPS1 (0.42) CTPS1KDM4EGAAGSK3BLMNA
SCHEMBL7892516 0.80 GSK3B (0.56) CTPS1KDM4EGAAGSK3BLMNA
SCHEMBL9495737 0.80 DAO (0.52) CTPS1KDM4EGAAGSK3BLMNA
SCHEMBL6925640 0.76 ALDH1A1 (0.40) CTPS1KDM4EGAAGSK3BLMNA
SCHEMBL15614507 0.75 TP53 (0.47) CTPS1KDM4EGAALMNAMAPT
SCHEMBL7895805 0.75 GSK3B (0.46) CTPS1KDM4EGAAGSK3BLMNA
SCHEMBL7892513 0.74 DAO (0.53) KDM4EGAAGSK3BLMNAMAPT
SCHEMBL8542218 0.73 TP53 (0.63) CTPS1KDM4EGAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CTPS1 1316/4885KDM4E 2058/4885GAA 352/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CTPS1 1316/4885KDM4E 2058/4885GAA 352/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CTPS1 1316/4885KDM4E 2058/4885GAA 352/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CTPS1 1316/4885KDM4E 2058/4885GAA 352/4885

“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.