SCHEMBL4224949

SCHEMBL4224949

O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)O)n2nccc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.48
CACNA1G O43497 5/20 0.45
CACNA1H O95180 5/20 0.45
CACNA1I Q9P0X4 5/20 0.45
PPARG P37231 3/20 0.42
MMP8 P22894 2/20 0.42
MAOB P27338 1/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP3 P08254 1/20 0.42
MMP12 P39900 1/20 0.42
MET P08581 1/20 0.42
PDGFRA P16234 1/20 0.42
MMP10 P09238 1/20 0.41
MMP9 P14780 1/20 0.41
PTGER4 P35408 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL10167205 0.91 MMP13 (0.54) MMP13CACNA1GCACNA1HCACNA1IPPARG
SCHEMBL8185116 0.90 MMP13 (0.58) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL8252814 0.90 DGAT1 (0.46) MMP13PPARGMMP8ADAMTS4MMP3
SCHEMBL10165651 0.90 MMP13 (0.46) MMP13CACNA1GCACNA1HCACNA1IPPARG
SCHEMBL10167202 0.89 MMP13 (0.44) MMP13CACNA1GCACNA1HCACNA1IPPARG
SCHEMBL4229010 0.88 CACNA1G (0.45) MMP13CACNA1GCACNA1HCACNA1IPPARG
SCHEMBL14124308 0.88 CACNA1G (0.46) MMP13CACNA1GCACNA1HCACNA1IPPARG
SCHEMBL8255413 0.87 EGLN1 (0.46) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL10167198 0.87 MMP13 (0.47) MMP13CACNA1GCACNA1HCACNA1IPPARG
SCHEMBL4260178 0.87 CACNA1G (0.45) MMP13CACNA1GCACNA1HCACNA1IPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2038284-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO 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
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (6 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 MMP13 38/4885CACNA1G 2351/4885CACNA1H 2455/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 MMP13 44/4885CACNA1G 1476/4885CACNA1H 1429/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885CACNA1G 2170/4885CACNA1H 2465/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885CACNA1G 2170/4885CACNA1H 2465/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885CACNA1G 2170/4885CACNA1H 2465/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885CACNA1G 2170/4885CACNA1H 2465/4885

“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.