SCHEMBL3548822

SCHEMBL3548822

COC(=O)c1cc(OC)c(OC)c(SC(=O)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TPMT P51580 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.40
GFER P55789 1/20 0.40
MCL1 Q07820 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL3549964 0.81 MAPT (0.51) CYP3A4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL30037411 0.81 MAPT (0.51) CYP3A4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL27316187 0.80 SCN1A (0.43) SCN1ASCN2ASCN3ACYP3A4KDM4E
Methyl Syringate SCHEMBL211747 0.78 MEN1 (0.61) CYP3A4KDM4ETPMTKMT2AMEN1
SCHEMBL3548826 0.75 PDE3B (0.50) SCN1ASCN2ASCN3ACYP3A4KDM4E
SCHEMBL13495880 0.74 ALDH1A1 (0.50) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL5220625 0.73 CA12 (0.46) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL9495958 0.73 MAPT (0.47) SCN1ASCN2ASCN3ACYP3A4KDM4E
SCHEMBL5387772 0.73 CA1 (0.46) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL17655659 0.73 TPMT (0.53) CYP3A4KDM4ETPMTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235464-A1 NOVEL EQUILIBRATIVE NUCLEOSIDE TRANSPORTER INHIBITORS AND METHODS OF MAKING AND USING SAME DUKE UNIVERSITY (US) 2023-12-07 WO disclosed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE SCN1A 3842/4885SCN2A 2609/4885SCN3A 1844/4885

“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.