SCHEMBL10161665

SCHEMBL10161665

CC(=O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(OC(F)(F)F)c2)nc2c(F)cnn12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.46
MMP3 P08254 1/20 0.46
MMP13 P45452 1/20 0.46
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 2/20 0.40
MAPK14 Q16539 1/20 0.39
NAMPT P43490 1/20 0.39
RIPK1 Q13546 5/20 0.39
GLS O94925 7/20 0.39
AKR1C3 P42330 1/20 0.36

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
SCHEMBL10161697 1.00 ADAMTS4 (0.46) ADAMTS4MMP3MMP13ROCK2ROCK1
SCHEMBL10161698 0.93 MMP13 (0.43) ADAMTS4MMP3MMP13ROCK2ROCK1
SCHEMBL10161671 0.93 MMP13 (0.43) ADAMTS4MMP3MMP13ROCK2ROCK1
SCHEMBL10161656 0.91 MMP13 (0.49) ADAMTS4MMP3MMP13ROCK2ROCK1
SCHEMBL10161694 0.91 MMP13 (0.49) ADAMTS4MMP3MMP13ROCK2ROCK1
SCHEMBL10161667 0.90 MMP13 (0.48) ADAMTS4MMP3MMP13ROCK2
SCHEMBL10161705 0.90 MMP13 (0.48) ADAMTS4MMP3MMP13ROCK2
SCHEMBL10161719 0.90 MMP13 (0.46) ADAMTS4MMP3MMP13ROCK2ROCK1
SCHEMBL10161681 0.90 MMP13 (0.46) ADAMTS4MMP3MMP13ROCK2ROCK1
SCHEMBL13161093 0.89 ROCK2 (0.43) ROCK2ROCK1MAPK14NAMPTRIPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 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

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.