SCHEMBL10162589

SCHEMBL10162589

CC(C)(C)OC(=O)CNC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.41
CACNA1H O95180 4/20 0.41
CACNA1I Q9P0X4 4/20 0.41
MMP13 P45452 6/20 0.40
PPARG P37231 2/20 0.39
PDGFRA P16234 1/20 0.38
MET P08581 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MAPK1 P28482 1/20 0.37
S1PR3 Q99500 1/20 0.37
CCNT1 O60563 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL10166345 0.89 MMP13 (0.41) CACNA1GCACNA1HCACNA1IMMP13PPARG
SCHEMBL10162592 0.88 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IMMP13PPARG
SCHEMBL13165973 0.87 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IMMP13PPARG
SCHEMBL10166328 0.87 MMP13 (0.43) CACNA1GCACNA1HCACNA1IMMP13PPARG
SCHEMBL10167202 0.87 MMP13 (0.44) CACNA1GCACNA1HCACNA1IMMP13PPARG
SCHEMBL4229010 0.84 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IMMP13PPARG
SCHEMBL10165651 0.83 MMP13 (0.46) CACNA1GCACNA1HCACNA1IMMP13PPARG
SCHEMBL10162460 0.83 MMP13 (0.45) CACNA1GCACNA1HCACNA1IMMP13PPARG
SCHEMBL10209657 0.83 MMP13 (0.59) MMP13PPARGMETADAMTS4MMP3
SCHEMBL10166346 0.83 PPARG (0.40) CACNA1GCACNA1HCACNA1IMMP13PPARG

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 11 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-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-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-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-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
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 CACNA1G 2170/4885CACNA1H 2465/4885CACNA1I 1645/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CACNA1G 2170/4885CACNA1H 2465/4885CACNA1I 1645/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CACNA1G 2170/4885CACNA1H 2465/4885CACNA1I 1645/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CACNA1G 2170/4885CACNA1H 2465/4885CACNA1I 1645/4885

“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.