Sugi Predict

Sugi Predict / Compounds / SCHEMBL10161630

SCHEMBL10161630

SCHEMBL10161630

CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(OC(F)F)c2)nc2ccnn12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 7/20 0.60
▸ ADAMTS4 O75173 2/20 0.60
▸ MMP3 P08254 2/20 0.60
▸ MMP8 P22894 1/20 0.60
▸ MMP12 P39900 1/20 0.60
▸ ROCK2 O75116 3/20 0.38
▸ KCNA5 P22460 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KCNB1 Q14721 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ RIPK1 Q13546 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KCNN3 Q9UGI6 1/20 0.34
▸ EGLN2 Q96KS0 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
SCHEMBL8247236 0.94 MMP13 (0.67) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161632 0.93 ADAMTS4 (0.59) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8253814 0.91 ADAMTS4 (0.57) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161628 0.91 MMP13 (0.60) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161791 0.90 MMP13 (0.52) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161642 0.90 MMP13 (0.64) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161870 0.89 MMP13 (0.67) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161181 0.88 MMP13 (0.61) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161633 0.88 MMP13 (0.61) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161610 0.87 MMP13 (0.63) 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.