SCHEMBL10166992

SCHEMBL10166992

CC(C)N1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C(=O)O)(CC4)CC5)n4ncc(F)c4n3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.40
MMP3 P08254 2/20 0.40
MMP13 P45452 2/20 0.40
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
KLKB1 P03952 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3R1 P27986 2/20 0.32
MTOR P42345 2/20 0.32
HTT P42858 3/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 2/20 0.31

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
SCHEMBL10162282 0.95 ADAMTS4 (0.39) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10166762 0.94 ADAMTS4 (0.39) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10166989 0.91 KLKB1 (0.42) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10166990 0.90 ADAMTS4 (0.41) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162275 0.86 KLKB1 (0.41) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10211409 0.86 ADAMTS4 (0.39) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL13377759 0.85 ADAMTS4 (0.39) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10166755 0.85 KLKB1 (0.41) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162274 0.85 ADAMTS4 (0.39) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL13185599 0.85 ADAMTS4 (0.40) 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 7 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-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-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.