SCHEMBL8254012

SCHEMBL8254012

Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(F)c2)nc2ncnn12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.63
ADAMTS4 O75173 2/20 0.63
MMP3 P08254 2/20 0.63
MMP8 P22894 1/20 0.59
MMP12 P39900 1/20 0.59
PDE2A O00408 1/20 0.38
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
JAK2 O60674 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LGALS3 P17931 1/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
ENPP1 P22413 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL10161807 0.94 MMP13 (0.56) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8247511 0.94 MMP13 (0.63) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8256769 0.93 MMP13 (0.65) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8255838 0.91 MMP13 (0.60) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8254009 0.91 MMP13 (0.69) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166071 0.91 MMP13 (0.68) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167388 0.90 MMP13 (0.71) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10208959 0.90 MMP13 (0.58) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL14450966 0.90 MMP13 (0.61) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10165998 0.89 MMP13 (0.58) 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 11 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-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-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-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-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
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO 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.