SCHEMBL829790

SCHEMBL829790

O=C(CS)Oc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
POLB P06746 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
DAO P14920 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 2/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL3496463 0.85 MMP1 (0.43) MMP1MMP2MMP9MMP12POLB
SCHEMBL4097244 0.84 MMP1 (0.47) MMP1MMP2MMP9MMP12POLB
SCHEMBL5352083 0.84 MMP1 (0.47) MMP1MMP2MMP9MMP12POLB
SCHEMBL3910846 0.82 MMP1 (0.46) MMP1MMP2MMP9MMP12POLB
SCHEMBL3308160 0.82 ALDH1A1 (0.41) MMP1MMP2MMP9MMP12POLB
SCHEMBL5342899 0.81 ALDH1A1 (0.49) MMP1MMP2MMP9MMP12POLB
SCHEMBL27366584 0.81 MMP1 (0.45) MMP1MMP2MMP9MMP12POLB
SCHEMBL3563381 0.81 MMP1 (0.45) MMP1MMP2MMP9MMP12POLB
SCHEMBL525049 0.81 MMP1 (0.45) MMP1MMP2MMP9MMP12POLB
SCHEMBL1803546 0.80 ALDH1A1 (0.43) MMP1MMP2MMP9MMP12POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3669019-A1 METHODS AND KITS FOR DETECTING ANTIBIOTIC-INACTIVATING FACTORS University of Louisville Research Foundation, Inc. (US) 2020-06-24 EP claimed
US-20200172953-A1 METHODS AND KITS FOR DETECTING ANTIBIOTIC-INACTIVATING FACTORS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2020-06-04 US claimed
WO-2004031142-A2 INHIBITION OF METALLO-BETA-LACTAMASE TEXAS TECH UNIVERSITY SYSTEM (US) 2004-04-15 WO claimed
WO-2021065099-A1 COPOLYMER, CURABLE RESIN COMPOSITION, AND CURED PRODUCT 株式会社ダイセル 2021-04-08 WO disclosed
EP-3669019-A1 METHODS AND KITS FOR DETECTING ANTIBIOTIC-INACTIVATING FACTORS University of Louisville Research Foundation, Inc. (US) 2020-06-24 EP disclosed
US-20200172953-A1 METHODS AND KITS FOR DETECTING ANTIBIOTIC-INACTIVATING FACTORS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2020-06-04 US disclosed
US-8143389-B2 Inhibiton of metallo-β-lactamase by double-stranded DNA TEXAS TECH UNIVERSITY (US) 2012-03-27 US disclosed
US-7989613-B2 isolated polyribonucleotide is used to kill Class B metallo- beta -lactamase producing bacteria; enzyme inhibitor has higher affinity and specificity for binding; with penicillin or cephalosporin; new biodrug for treating bacterial infections TEXAS TECH UNIVERSITY (US) 2011-08-02 US disclosed
US-20100261777-A1 Inhibiton of metallo-beta-lactamase by double-stranded dna TEXAS TECH UNIVERSITY SYSTEM 2010-10-14 US disclosed
US-7772388-B2 Inhibition of metallo-β-lactamase TEXAS TECH UNIVERSITY (US) 2010-08-10 US disclosed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO disclosed
WO-2009108055-A1 WATER SOLUBLE COATING MATERIAL FOR OPTICAL CABLES DSM IP ASSETS B.V. (NL) 2009-09-03 WO disclosed
US-20090203003-A1 INHIBITION OF METALLO-BETA-LACTAMASE TEXAS TECH UNIVERSITY SYSTEM (US) 2009-08-13 US disclosed
US-7456274-B2 Inhibition of metallo-β-lactamase TEXAS TECH UNIVERSITY SYSTEM (US) 2008-11-25 US disclosed
US-20080119432-A1 Inhibition Of Metallo-Beta-Lactamase By Rna TEXAS TECH UNIVERSITY SYSTEM 2008-05-22 US disclosed
WO-2007025016-A1 INHIBITION OF METALLO-BETA-LACTAMASE BY DOUBLE-STRANDED DNA TEXAS TECH UNIVERSITY SYSTEM (US) 2007-03-01 WO disclosed
WO-2006135431-A2 INHIBITION OF METALLO-BETA-LACTAMASE BY RNA TEXAS TECH UNIVERSITY SYSTEM (US) 2006-12-21 WO disclosed
US-20050202434-A1 Inhibition of metallo-beta-lactamase TEXAS TECH UNIVERSITY SYSTEM 2005-09-15 US disclosed
WO-2004031142-A2 INHIBITION OF METALLO-BETA-LACTAMASE TEXAS TECH UNIVERSITY SYSTEM (US) 2004-04-15 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-20080119432-A1 Inhibition Of Metallo-Beta-Lactamase By Rna RNGTT, EMG1, FBL MMP1 1074/4885MMP2 223/4885MMP9 281/4885

“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.