SCHEMBL6237038

SCHEMBL6237038

O=C(O)c1ccc2c(c1)SN=CN2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
ENPP2 Q13822 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ESR2 Q92731 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36

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
SCHEMBL6242536 0.81 ALOX15 (0.46) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28483721 0.73 NOX1 (0.47) HTTKDM4ESIRT2SIRT1TDP1
SCHEMBL28478436 0.68 NOX1 (0.58) HTTKDM4EHPGDHSD17B10TDP1
SCHEMBL5401061 0.67 HTT (0.49) HTTKDM4EALDH1A1HPGDSIRT2
SCHEMBL5121603 0.67 NOX1 (0.60) HTTKDM4ETDP1MAPTSMN1; SMN2
SCHEMBL18522671 0.65 TSHR (0.46) HTTKDM4EALDH1A1HPGDSIRT2
SCHEMBL22226785 0.64 KDM4E (0.53) HTTKDM4EALDH1A1HPGDENPP2
SCHEMBL8580494 0.64 CA12 (0.50) HTTKDM4EALDH1A1HPGDSIRT2
SCHEMBL68522 0.64 TSHR (0.50) HTTKDM4EALDH1A1TDP1MAPT
SCHEMBL12106079 0.64 TSHR (0.50) HTTKDM4EALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368327-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-6656932-B2 Treating osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure WARNER-LAMBERT COMPANY 2003-12-02 US claimed
WO-2002064578-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-1361873-A4 MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2005-10-26 EP disclosed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1368327-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (US) 2002-08-22 WO disclosed
WO-2002064578-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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 (1 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 HTT 273/4885KDM4E 2484/4885ALDH1A1 4241/4885

“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.