Sugi Predict

Sugi Predict / Compounds / SCHEMBL10161613

SCHEMBL10161613

SCHEMBL10161613

CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4c3ccc(C(C)=O)c4C)n3ncnc3n2)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 7/20 0.59
▸ ADAMTS4 O75173 2/20 0.59
▸ MMP3 P08254 2/20 0.59
▸ MMP8 P22894 1/20 0.51
▸ MMP12 P39900 1/20 0.51
▸ LMNA P02545 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE2A O00408 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GPR52 Q9Y2T5 1/20 0.32
▸ PDE10A Q9Y233 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
SCHEMBL8253808 0.94 MMP13 (0.67) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161786 0.94 MMP13 (0.61) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161772 0.93 MMP13 (0.61) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161783 0.92 MMP13 (0.59) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161820 0.91 MMP13 (0.57) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161799 0.90 MMP13 (0.73) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8246508 0.90 MMP13 (0.54) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161807 0.89 MMP13 (0.56) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161779 0.89 MMP13 (0.57) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161793 0.89 MMP13 (0.60) 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.