SCHEMBL10165520

SCHEMBL10165520

Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C(N)=O)s3)n3ncnc3n2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.49
MMP10 P09238 2/20 0.42
MMP8 P22894 2/20 0.42
MMP9 P14780 1/20 0.42
CHRM4 P08173 2/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP3 P08254 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.34
PDPK1 O15530 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP3A4 P08684 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
SCHEMBL10162497 0.93 MMP13 (0.50) MMP13MMP10MMP8MMP9CHRM4
SCHEMBL13185480 0.93 PDPK1 (0.40) MMP13CHRM4PDPK1
SCHEMBL13185481 0.90 MAPK1 (0.39) MMP13
SCHEMBL8252820 0.88 MMP13 (0.60) MMP13MMP10MMP8MMP9CHRM4
SCHEMBL10165795 0.88 MMP13 (0.63) MMP13MMP10MMP8MMP9ADAMTS4
SCHEMBL14450726 0.87 MBOAT4 (0.35) MMP13CHRM4ADAMTS4MMP3ALDH1A1
SCHEMBL10162500 0.86 MMP13 (0.40) MMP13CHRM4ADAMTS4MMP3EPHX2
SCHEMBL10165671 0.85 MMP13 (0.53) MMP13MMP10MMP8MMP9L3MBTL1
SCHEMBL8254819 0.84 MMP13 (0.56) MMP13MMP10MMP8MMP9CHRM4
SCHEMBL8256094 0.84 MMP13 (0.58) MMP13MMP10MMP8MMP9ADAMTS4

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 8 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

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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MMP10 4/4885MMP8 26/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885MMP10 4/4885MMP8 26/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MMP10 4/4885MMP8 26/4885

“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.