SCHEMBL8254339

SCHEMBL8254339

Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ncnn12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.84
MMP8 P22894 7/20 0.84
ADAMTS4 O75173 2/20 0.84
MMP3 P08254 2/20 0.84
MMP12 P39900 1/20 0.84
TSHR P16473 2/20 0.38
MAOA P21397 1/20 0.38
HTR1D P28221 3/20 0.35
HTR1A P08908 2/20 0.35
HTR1B P28222 2/20 0.35
SLC6A4 P31645 2/20 0.35
PARP1 P09874 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
DRD2 P14416 2/20 0.35
ADRB1 P08588 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL13161098 0.95 MMP13 (0.76) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL8253418 0.92 MMP13 (1.00) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL30269758 0.92 MMP13 (1.00) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL8254334 0.90 MMP13 (0.69) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL13593656 0.90 MMP13 (0.69) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL13594058 0.90 MMP13 (0.69) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL8253609 0.89 MMP13 (0.68) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL8253612 0.89 MMP13 (0.81) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL8256772 0.88 ADAMTS4 (0.66) MMP13MMP8ADAMTS4MMP3MMP12
SCHEMBL13161065 0.88 MMP13 (0.65) MMP13MMP8ADAMTS4MMP3MMP12

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 10 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-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
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 (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 MMP13 1/4885MMP8 26/4885ADAMTS4 38/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885MMP8 26/4885ADAMTS4 38/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MMP8 26/4885ADAMTS4 38/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MMP8 26/4885ADAMTS4 38/4885

“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.