SCHEMBL10161748

SCHEMBL10161748

CC(=O)c1ccc2c(c1)C[C@@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2ccnn12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.47
ADAMTS4 O75173 2/20 0.47
MMP3 P08254 2/20 0.47
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
P2RX7 Q99572 4/20 0.37
RORC P51449 1/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM1 P11229 3/20 0.34
PTPN7 P35236 3/20 0.33
DUSP3 P51452 3/20 0.33
ROCK2 O75116 2/20 0.33
KLKB1 P03952 1/20 0.33
ENPP2 Q13822 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
SCHEMBL13161096 1.00 MMP13 (0.47) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161094 0.92 MMP13 (0.41) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161729 0.92 MMP13 (0.41) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161092 0.91 MMP13 (0.42) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161727 0.91 MMP13 (0.42) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161091 0.90 RIPK1 (0.41) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161739 0.90 RIPK1 (0.41) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161731 0.90 MMP13 (0.40) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161090 0.90 MMP13 (0.40) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161700 0.90 MMP13 (0.60) MMP13ADAMTS4MMP3P2RX7RORC

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 5 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-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 (3 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885

“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.