SCHEMBL8255805

SCHEMBL8255805

Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)nc2ncnn12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.62
MMP3 P08254 2/20 0.62
MMP13 P45452 2/20 0.62
MMP8 P22894 1/20 0.55
MMP12 P39900 1/20 0.55
PDE2A O00408 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ADRB2 P07550 1/20 0.38
KIT P10721 1/20 0.38
EPHX2 P34913 2/20 0.37
MBOAT4 Q96T53 3/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL10166025 0.93 ADAMTS4 (0.61) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8255825 0.91 MMP13 (0.67) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167798 0.90 ADAMTS4 (0.67) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8252824 0.90 ADAMTS4 (0.52) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8256769 0.90 MMP13 (0.65) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10166052 0.89 ADAMTS4 (0.61) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167204 0.89 ADAMTS4 (0.80) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10161792 0.88 ADAMTS4 (0.54) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8254009 0.87 MMP13 (0.69) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL14450966 0.87 MMP13 (0.61) ADAMTS4MMP3MMP13MMP8MMP12

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-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
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 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885

“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.