SCHEMBL10162261

SCHEMBL10162261

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)nc4ncnn34)(CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLS O94925 11/20 0.43
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
MAPK14 Q16539 1/20 0.40
RIPK1 Q13546 3/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNB1 Q14721 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL10162259 0.92 PDE2A (0.41) GLSROCK2ROCK1LMNAMAPK1
SCHEMBL10162187 0.89 KCNN3 (0.46) GLSROCK2ROCK1MAPK14RIPK1
SCHEMBL10162257 0.89 HRH4 (0.46) MMP13
SCHEMBL10162267 0.88 LMNA (0.39) LMNASMN1; SMN2MMP13
SCHEMBL10162258 0.87 RIPK1 (0.39) RIPK1MMP13
SCHEMBL10162264 0.84 PDE2A (0.39) MMP13
SCHEMBL10162242 0.84 MMP13 (0.39) MMP13
SCHEMBL10162262 0.83 SMN1; SMN2 (0.38) LMNAMAPK1SMN1; SMN2MMP13
SCHEMBL10162263 0.83 MMP13 (0.45) MMP13
SCHEMBL10162270 0.83 ALDH1A1 (0.33) LMNAMAPK1SMN1; SMN2MMP13

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 5 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-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 (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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 GLS 1120/4885ROCK2 1967/4885ROCK1 2537/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GLS 1120/4885ROCK2 1967/4885ROCK1 2537/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GLS 1120/4885ROCK2 1967/4885ROCK1 2537/4885

“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.