SCHEMBL6234429

SCHEMBL6234429

COc1cc(CC#Cc2cn3c(=O)c(Cc4ccc(S(C)(=O)=O)cc4)ccc3s2)ccn1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
TRPA1 O75762 1/20 0.31
CCR9 P51686 1/20 0.30

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
SCHEMBL6477603 1.00 LOX (0.31) LOXLOXL2TRPA1CCR9
SCHEMBL6250624 0.86 MMP13 (0.38) LOXLOXL2TRPA1
SCHEMBL6232550 0.86 CYP3A4 (0.35)
SCHEMBL6231683 0.81 PTGS2 (0.37)
SCHEMBL7033919 0.81 PPARG (0.38)
SCHEMBL6450281 0.76 PLA2G7 (0.31) LOXLOXL2
SCHEMBL6237217 0.75 MMP13 (0.36) TRPA1CCR9
SCHEMBL6232535 0.73 MMP13 (0.36) LOXLOXL2TRPA1CCR9
SCHEMBL6257127 0.72
SCHEMBL6258372 0.72 FFAR1 (0.34) LOXLOXL2CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6891039-B2 Imidazo [4,5-B] pyridine compounds and their pharmaceuticals use NOVARTIS AG (CH) 2005-05-10 US claimed
US-20040082604-A1 Thiazole and imidazo (4,5-B) pyridine compounds and their pharmaceutical use REVESZ LASZLO (CH) 2004-04-29 US claimed
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2003-07-31 US claimed
EP-1534274-A1 COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-06-01 EP disclosed
US-6891039-B2 Imidazo [4,5-B] pyridine compounds and their pharmaceuticals use NOVARTIS AG (CH) 2005-05-10 US disclosed
EP-1525030-A1 COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-04-27 EP disclosed
US-6849648-B2 Phenylene alkyne matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
EP-1434585-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2004-07-07 EP disclosed
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
US-20040023969-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-05 US disclosed
US-20040019055-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
WO-2004006914-A1 COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004007025-A1 COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2003-07-31 US disclosed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 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 (6 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-20040082604-A1 Thiazole and imidazo (4,5-B) pyridine compounds and their pharmaceutical use MAPK1, IRAK1, IRAK4 LOX 1618/4885LOXL2 3545/4885TRPA1 3262/4885
US-20040019055-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 LOX 146/4885LOXL2 566/4885TRPA1 500/4885
US-20040023969-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 LOX 245/4885LOXL2 1187/4885TRPA1 1459/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 LOX 524/4885LOXL2 1784/4885TRPA1 812/4885
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors MMP11, MMP13, MMP3 LOX 123/4885LOXL2 406/4885TRPA1 3529/4885
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP11, MMP13, MMP10 LOX 575/4885LOXL2 1282/4885TRPA1 468/4885

“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.