SCHEMBL10162183

SCHEMBL10162183

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(Cl)c4)nc4ccnn34)(CC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.40
MAPK1 P28482 12/20 0.40
RPS6KA1 Q15418 1/20 0.40
DGAT1 O75907 1/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
WDR5 P61964 2/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL14470225 0.93 MMP13 (0.40) MMP13MAPK1RPS6KA1DGAT1ADAMTS4
SCHEMBL8253894 0.93 DGAT1 (0.41) MMP13MAPK1RPS6KA1DGAT1ADAMTS4
SCHEMBL10162179 0.93 MMP13 (0.39) MMP13MAPK1RPS6KA1ADAMTS4MMP3
SCHEMBL8253804 0.92 MMP13 (0.40) MMP13MAPK1RPS6KA1DGAT1ADAMTS4
SCHEMBL10168612 0.92 MMP13 (0.41) MMP13MAPK1RPS6KA1DGAT1ADAMTS4
SCHEMBL10162185 0.91 MMP13 (0.47) MMP13MAPK1RPS6KA1ADAMTS4MMP3
SCHEMBL10162203 0.89 SMN1; SMN2 (0.40) MMP13MAPK1ADAMTS4MMP3MMP8
SCHEMBL10162176 0.89 MMP13 (0.44) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166157 0.88 MMP13 (0.37) MMP13MAPK1RPS6KA1DGAT1ADAMTS4
SCHEMBL10162209 0.88 MMP13 (0.44) MMP13MAPK1RPS6KA1ADAMTS4MMP3

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 1/4885MAPK1 2860/4885RPS6KA1 3810/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885MAPK1 2860/4885RPS6KA1 3810/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MAPK1 2860/4885RPS6KA1 3810/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MAPK1 2860/4885RPS6KA1 3810/4885

“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.