SCHEMBL10163463

SCHEMBL10163463

CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP3 P08254 1/20 0.39
MAPK1 P28482 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
CACNA1G O43497 2/20 0.34
CACNA1H O95180 2/20 0.34
CACNA1I Q9P0X4 2/20 0.34
TP53 P04637 4/20 0.32
KMT2A Q03164 3/20 0.32
GPR55 Q9Y2T6 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
KCNJ1 P48048 3/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 2/20 0.30
METTL3 Q86U44 1/20 0.30
METTL14 Q9HCE5 1/20 0.30
LMNA P02545 2/20 0.30

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
SCHEMBL10163459 0.94 MMP13 (0.40) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8231114 0.94 MMP13 (0.39) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8230345 0.94 MMP13 (0.39) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8231125 0.93 MMP13 (0.40) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8225578 0.92 MMP13 (0.38) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8231122 0.92 MMP13 (0.40) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8228364 0.92 MMP13 (0.41) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8227818 0.92 MMP13 (0.39) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8222833 0.92 MMP13 (0.39) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8230340 0.92 MMP13 (0.39) MMP13ADAMTS4MMP3MAPK1RPS6KA1

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 6 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-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-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 1/4885ADAMTS4 38/4885MMP3 3/4885
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.