SCHEMBL10167798

SCHEMBL10167798

Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)nc2ccnn12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.67
MMP3 P08254 2/20 0.67
MMP13 P45452 2/20 0.67
MMP8 P22894 1/20 0.67
MMP12 P39900 1/20 0.67
PDE2A O00408 1/20 0.41
ADRB2 P07550 1/20 0.39
KCNN3 Q9UGI6 1/20 0.39
EPHX2 P34913 1/20 0.37
KIT P10721 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 2/20 0.36
DGAT2 Q96PD7 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
PPARD Q03181 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
SCHEMBL10167569 0.93 ADAMTS4 (0.66) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167380 0.92 MMP13 (0.71) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8254016 0.91 ADAMTS4 (0.62) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8256785 0.91 MMP13 (0.67) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167698 0.91 MMP13 (0.70) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10166047 0.91 ADAMTS4 (0.66) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8255805 0.90 ADAMTS4 (0.62) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167383 0.90 MMP13 (0.72) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167704 0.90 ADAMTS4 (0.74) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10166242 0.89 MMP3 (0.73) 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 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-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 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.