SCHEMBL10164772

SCHEMBL10164772

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.51
MAPK1 P28482 5/20 0.47
CNR2 P34972 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PTGER4 P35408 1/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MMP10 P09238 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL10164773 0.87 MMP13 (0.51) MMP13MAPK1CNR2HDAC3HDAC1
SCHEMBL10164768 0.86 MMP13 (0.50) MMP13MAPK1CNR2HDAC3HDAC1
SCHEMBL14284141 0.85 MMP13 (0.65) MMP13MAPK1CNR2HDAC3HDAC1
SCHEMBL10165415 0.84 MMP13 (0.49) MMP13MMP10MMP9MMP8
SCHEMBL10208688 0.84 MMP13 (0.50) MMP13MAPK1CNR2HDAC3HDAC1
SCHEMBL14074758 0.83 ALDH1A1 (0.48) MMP13TSHRALDH1A1LMNA
SCHEMBL14284137 0.83 MMP13 (0.52) MMP13MAPK1CNR2HDAC3HDAC1
SCHEMBL10164769 0.81 MMP13 (0.47) MMP13MAPK1CNR2HDAC3HDAC1
SCHEMBL8197476 0.81 MAPK1 (0.41) MMP13MAPK1CNR2HDAC3HDAC1
SCHEMBL6479481 0.80 MMP13 (0.71) MMP13MAPK1CNR2HDAC3HDAC1

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 14 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-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 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 (6 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 1/4885MAPK1 2860/4885CNR2 2267/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885MAPK1 2860/4885CNR2 2267/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MAPK1 2860/4885CNR2 2267/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 MMP13 11/4885MAPK1 2327/4885CNR2 3666/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MAPK1 2860/4885CNR2 2267/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 MMP13 1/4885MAPK1 2865/4885CNR2 1741/4885

“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.