SCHEMBL4033414

SCHEMBL4033414

CC(C)(C)OC(=O)c1csc(C(=O)O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 3/20 0.40
GRM6 O15303 1/20 0.37
KMT2A Q03164 2/20 0.35
HPGDS O60760 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EGFR P00533 1/20 0.32
RAB9A P51151 1/20 0.31
LHCGR P22888 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
PRKCZ Q05513 1/20 0.31

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
SCHEMBL30300589 0.81 KDM4E (0.46) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL27833792 0.81 GRM6 (0.39) ALDH1A1KDM4EGRM6KMT2AHPGDS
SCHEMBL27580623 0.79 GRM6 (0.43) ALDH1A1GRM6KMT2AHPGDSLMNA
SCHEMBL21543944 0.77 GRM6 (0.43) ALDH1A1KDM4EGRM6KMT2AHPGDS
SCHEMBL3239531 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AL3MBTL1POLB
SCHEMBL20303179 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AL3MBTL1LMNA
Methane SCHEMBL27538360 0.74 KDM4E (0.35) KDM4EGRM6KMT2ACA12CA1
SCHEMBL1767847 0.72 KDM4E (0.40) ALDH1A1KDM4EGRM6KMT2ACA12
SCHEMBL23460236 0.72 ESR1 (0.38) ALDH1A1KDM4ELMNA
SCHEMBL23460234 0.72 ESR1 (0.38) ALDH1A1KDM4ELMNA

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
EP-4252856-A2 NOVEL QUINAZOLINONES THAT INHIBIT THE FORMATION OF TAU OLIGOMERS AND THEIR METHOD OF USE Oligomerix, Inc. (US) 2023-10-04 EP disclosed
EP-3558950-B1 NOVEL QUINAZOLINONES THAT INHIBIT THE FORMATION OF TAU OLIGOMERS AND THEIR METHOD OF USE OLIGOMERIX INC (US) 2023-05-10 EP disclosed
EP-1572072-A4 METHODS OF TREATING INFECTION BY DRUG RESISTANT BACTERIA GENESOFT INC (US) 2009-04-01 EP disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-20060287247-A1 Binds nucleic acids; microbiocides for Grampositive infections and drug resistance bacteria GENESOFT PHARMACEUTICALS, INC. (US) 2006-12-21 US disclosed
US-7122626-B2 Halogen-substitued thienyl compounds GENESOFT PHARMCEUTICALS, INC. (US) 2006-10-17 US disclosed
EP-1572072-A2 METHODS OF TREATING INFECTION BY DRUG RESISTANT BACTERIA Genesoft, Inc. (US) 2005-09-14 EP disclosed
WO-2004043335-A2 METHODS OF TREATING INFECTION BY DRUG RESISTANT BACTERIA GENESOFT, INC. (US) 2004-05-27 WO disclosed
US-20030199516-A1 Methods of treating infection by drug resistant bacteria GENESOFT, INC. 2003-10-23 US disclosed
US-20030130198-A1 Halogen-substitued thienyl compounds GENESOFT, INC. (US) 2003-07-10 US disclosed
WO-2002088119-A1 HALOGEN-SUBSTITUTED THIENYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC (US) 2002-11-07 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-20060287247-A1 Binds nucleic acids; microbiocides for Grampositive infections and drug resistance bacteria CNBP, TLR9, DDB1 ALDH1A1 3152/4885KDM4E 2315/4885GRM6 1584/4885
US-20030199516-A1 Methods of treating infection by drug resistant bacteria POLI, POLN, PCNA ALDH1A1 3899/4885KDM4E 3892/4885GRM6 2665/4885
US-20030130198-A1 Halogen-substitued thienyl compounds TOP1, TPR, PCNA ALDH1A1 2611/4885KDM4E 1519/4885GRM6 4286/4885

“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.