Sugi Predict

Sugi Predict / Compounds / SCHEMBL10166157

SCHEMBL10166157

SCHEMBL10166157

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 3/20 0.37
▸ MAPK1 P28482 12/20 0.37
▸ RPS6KA1 Q15418 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ PDPK1 O15530 1/20 0.33

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 0.89 MMP13 (0.40) MMP13MAPK1RPS6KA1DGAT1ADAMTS4
SCHEMBL10162183 0.88 MMP13 (0.40) MMP13MAPK1RPS6KA1DGAT1ADAMTS4
SCHEMBL8253894 0.87 DGAT1 (0.41) MMP13MAPK1RPS6KA1DGAT1ADAMTS4
SCHEMBL8253804 0.87 MMP13 (0.40) MMP13MAPK1RPS6KA1DGAT1ADAMTS4
SCHEMBL10168612 0.86 MMP13 (0.41) MMP13MAPK1RPS6KA1DGAT1ADAMTS4
SCHEMBL10162179 0.81 MMP13 (0.39) MMP13MAPK1RPS6KA1ADAMTS4MMP3
SCHEMBL10165627 0.80 MMP13 (0.40) MMP13MAPK1ADAMTS4MMP3MMP8
SCHEMBL8256467 0.80 MMP13 (0.47) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162185 0.80 MMP13 (0.47) MMP13MAPK1RPS6KA1ADAMTS4MMP3
SCHEMBL8256461 0.78 MMP13 (0.46) MMP13ADAMTS4MMP3MMP8MMP12

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-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.