SCHEMBL10165450

SCHEMBL10165450

C=CCOC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(C#N)cc2)nc2ncnn12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.48
MMP3 P08254 2/20 0.48
MMP13 P45452 2/20 0.48
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
EGLN2 Q96KS0 15/20 0.37
PDE2A O00408 2/20 0.34
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33

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
SCHEMBL10165452 0.94 MMP13 (0.47) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8256515 0.92 MMP13 (0.52) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8247094 0.92 ADAMTS4 (0.49) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10165785 0.91 ADAMTS4 (0.46) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8252824 0.89 ADAMTS4 (0.52) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8253102 0.89 MMP13 (0.56) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8253103 0.89 ADAMTS4 (0.51) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10166002 0.89 ADAMTS4 (0.59) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10165436 0.88 ADAMTS4 (0.42) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8255831 0.88 MMP13 (0.48) 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.