SCHEMBL10162431

SCHEMBL10162431

CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)F)c3)nc3ccnn23)cc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
KCNB1 Q14721 1/20 0.41
ROCK2 O75116 5/20 0.41
ROCK1 Q13464 3/20 0.40
KLKB1 P03952 1/20 0.39
RIPK1 Q13546 3/20 0.39
KCNN3 Q9UGI6 1/20 0.39
CLK1 P49759 1/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL10162432 0.91 RIPK1 (0.48) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162468 0.91 ROCK2 (0.44) MMP13KCNA5KCNH2KCNB1ROCK2
SCHEMBL10162424 0.86 MMP13 (0.47) MMP13ADAMTS4MMP3KCNA5KCNH2
SCHEMBL10162436 0.85 MMP13 (0.46) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162352 0.85 ROCK2 (0.40) KCNA5KCNH2KCNB1ROCK2ROCK1
SCHEMBL10162440 0.84 POLB (0.45) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162426 0.84 MMP13 (0.53) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162437 0.84 MMP13 (0.47) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161630 0.82 MMP13 (0.60) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162474 0.82 ROCK2 (0.52) ROCK2ROCK1RIPK1KCNN3

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.