SCHEMBL10165415

SCHEMBL10165415

COC(=O)c1ncnc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)c1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.49
P2RX7 Q99572 5/20 0.46
PTPN7 P35236 6/20 0.44
DUSP3 P51452 6/20 0.44
MMP10 P09238 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
POLB P06746 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MAPT P10636 1/20 0.41
NR3C2 P08235 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL10165405 0.88 MMP13 (0.49) MMP13P2RX7PTPN7DUSP3MMP10
SCHEMBL10165410 0.87 RPS6KB1 (0.50) MMP13P2RX7PTPN7DUSP3MMP10
SCHEMBL10164772 0.84 MMP13 (0.51) MMP13MMP10MMP9MMP8
SCHEMBL10165412 0.82 MMP13 (0.46) MMP13P2RX7PTPN7DUSP3MMP10
SCHEMBL14074758 0.81 ALDH1A1 (0.48) MMP13POLBMAPT
SCHEMBL8358828 0.81 MMP13 (0.68) MMP13P2RX7PTPN7DUSP3MMP10
SCHEMBL27913560 0.79 MMP13 (0.65) MMP13P2RX7PTPN7DUSP3MMP10
SCHEMBL13593907 0.77 P2RX7 (0.43) MMP13P2RX7PTPN7DUSP3RPS6KB1
SCHEMBL14284226 0.76 MMP13 (0.58) MMP13P2RX7PTPN7DUSP3MMP10
SCHEMBL10168149 0.76 P2RX7 (0.56) MMP13P2RX7PTPN7DUSP3MMP10

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 MMP13 1/4885P2RX7 3795/4885PTPN7 4289/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885P2RX7 3795/4885PTPN7 4289/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885P2RX7 3795/4885PTPN7 4289/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885P2RX7 3795/4885PTPN7 4289/4885

“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.