SCHEMBL10162432

SCHEMBL10162432

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.48
KCNN3 Q9UGI6 1/20 0.48
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
GLS O94925 8/20 0.46
MAPK14 Q16539 1/20 0.45
ADAMTS4 O75173 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL10162431 0.91 MMP13 (0.42) RIPK1KCNN3ROCK2ROCK1ADAMTS4
SCHEMBL10162474 0.91 ROCK2 (0.52) RIPK1KCNN3ROCK2ROCK1GLS
SCHEMBL10162436 0.88 MMP13 (0.46) RIPK1KCNN3ADAMTS4MMP3MMP8
SCHEMBL10162427 0.87 ADAMTS4 (0.49) RIPK1ROCK2ROCK1PPARGPPARD
SCHEMBL10162366 0.85 KCNN3 (0.47) RIPK1KCNN3ROCK2ROCK1GLS
SCHEMBL10162426 0.84 MMP13 (0.53) PPARGMAPK14ADAMTS4MMP3MMP8
SCHEMBL10162440 0.84 POLB (0.45) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10162437 0.83 MMP13 (0.47) PPARGADAMTS4MMP3MMP8MMP12
SCHEMBL10161632 0.83 ADAMTS4 (0.59) RIPK1KCNN3ROCK2ROCK1GLS
SCHEMBL10162468 0.82 ROCK2 (0.44) KCNN3ROCK2ROCK1MMP13

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 RIPK1 3619/4885KCNN3 2625/4885ROCK2 1967/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 RIPK1 3619/4885KCNN3 2625/4885ROCK2 1967/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 RIPK1 3619/4885KCNN3 2625/4885ROCK2 1967/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 RIPK1 3619/4885KCNN3 2625/4885ROCK2 1967/4885

“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.