Sugi Predict

Sugi Predict / Compounds / SCHEMBL10161791

SCHEMBL10161791

SCHEMBL10161791

CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(OC(F)F)c2)nc2ncnn12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 8/20 0.52
▸ ADAMTS4 O75173 2/20 0.52
▸ MMP3 P08254 2/20 0.52
▸ MMP8 P22894 1/20 0.48
▸ MMP12 P39900 1/20 0.48
▸ PDE2A O00408 3/20 0.42
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNA5 P22460 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KCNB1 Q14721 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10165998 0.94 MMP13 (0.58) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161792 0.93 ADAMTS4 (0.54) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8249382 0.91 MMP13 (0.48) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161779 0.91 MMP13 (0.57) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161630 0.90 MMP13 (0.60) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161807 0.89 MMP13 (0.56) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161870 0.89 MMP13 (0.67) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161787 0.88 MMP13 (0.58) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166025 0.87 ADAMTS4 (0.61) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161786 0.87 MMP13 (0.61) 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 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.