SCHEMBL8201059

SCHEMBL8201059

COC(=O)c1ncnc(C(=O)O)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
KMO O15229 2/20 0.42
KDM4E B2RXH2 10/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 1/20 0.39
KDM4C Q9H3R0 2/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACLY P53396 1/20 0.34

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
SCHEMBL14074710 0.85 NPSR1 (0.43) NPSR1KDM4EL3MBTL1MAPK1KDM4C
SCHEMBL18743114 0.83 NPSR1 (0.45) NPSR1KDM4EL3MBTL1MAPK1KDM4C
SCHEMBL31365145 0.83 NPSR1 (0.45) NPSR1KDM4EL3MBTL1MAPK1KDM4C
SCHEMBL8201600 0.81 NPSR1 (0.43) NPSR1KDM4EL3MBTL1MAPK1KDM4C
SCHEMBL31032919 0.80 NPSR1 (0.42) NPSR1KDM4EL3MBTL1KDM4CALDH1A1
SCHEMBL22119946 0.80 NPSR1 (0.42) NPSR1KDM4EL3MBTL1KDM4CALDH1A1
SCHEMBL28379725 0.80 NPSR1 (0.42) NPSR1KMOKDM4EL3MBTL1MAPK1
SCHEMBL14074706 0.79 KDM4E (0.46) NPSR1KMOKDM4EASPHKDM8
SCHEMBL22119961 0.78 KDM4E (0.46) NPSR1KMOKDM4EASPHKDM8
SCHEMBL13162110 0.77 NPSR1 (0.36) NPSR1KDM4EL3MBTL1KDM4CALDH1A1

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-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-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
WO-2008063669-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO 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 (5 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 NPSR1 2352/4885KMO 821/4885KDM4E 2058/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 NPSR1 2352/4885KMO 821/4885KDM4E 2058/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NPSR1 2352/4885KMO 821/4885KDM4E 2058/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NPSR1 2352/4885KMO 821/4885KDM4E 2058/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 NPSR1 2187/4885KMO 820/4885KDM4E 2290/4885

“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.