SCHEMBL5696975

SCHEMBL5696975

COc1ccc(CNC(=O)c2cc3c(=O)n(Cc4cccc(F)c4)cnc3cn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.74
SLC22A8 Q8TCC7 1/20 0.74
EPHX2 P34913 1/20 0.53
PPARG P37231 1/20 0.53
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL5696978 0.93 MMP13 (0.78) MMP13SLC22A8EPHX2PPARGLMNA
SCHEMBL6273591 0.85 MMP13 (1.00) MMP13SLC22A8
Hydrochloric Acid SCHEMBL6359859 0.84 MMP13 (0.98) MMP13SLC22A8
SCHEMBL6359845 0.84 MMP13 (1.00) MMP13SLC22A8
SCHEMBL6438774 0.84 MMP13 (0.78) MMP13SLC22A8LMNATP53RXFP1
SCHEMBL6296274 0.84 MMP13 (0.63) MMP13SLC22A8LMNA
SCHEMBL6360232 0.83 MMP13 (0.78) MMP13SLC22A8
SCHEMBL6364201 0.82 MMP13 (0.93) MMP13SLC22A8
SCHEMBL6268968 0.82 MMP13 (1.00) MMP13SLC22A8LMNATP53POLB
SCHEMBL6358328 0.82 MMP13 (0.80) MMP13SLC22A8

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US claimed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US claimed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US claimed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
US-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US disclosed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US disclosed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO disclosed
WO-2003076416-A1 OXO AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 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 (3 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-20030216402-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, XDH MMP13 1/4885SLC22A8 953/4885EPHX2 636/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 MMP13 1/4885SLC22A8 1909/4885EPHX2 2908/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885SLC22A8 1032/4885EPHX2 826/4885

“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.