Sugi Predict

Sugi Predict / Compounds / SCHEMBL10161586

SCHEMBL10161586

SCHEMBL10161586

CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccnc(C(F)(F)F)c2)nc2ccnn12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 5/20 0.61
▸ ADAMTS4 O75173 2/20 0.61
▸ MMP3 P08254 2/20 0.61
▸ MMP8 P22894 1/20 0.61
▸ MMP12 P39900 1/20 0.61
▸ KLKB1 P03952 6/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL10161601 0.91 MMP13 (0.57) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161638 0.91 MMP13 (0.63) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161633 0.90 MMP13 (0.61) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161636 0.90 ADAMTS4 (0.62) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161590 0.89 MMP13 (0.73) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161631 0.89 MMP13 (0.73) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161642 0.88 MMP13 (0.64) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161610 0.88 MMP13 (0.63) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161623 0.88 MMP13 (0.65) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161640 0.88 MMP13 (0.64) 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.