SCHEMBL3548901

SCHEMBL3548901

COC(=O)c1cc(S)c(OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.50
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 1/20 0.45
HPGD P15428 1/20 0.45
SLC29A1 Q99808 1/20 0.44
LMNA P02545 1/20 0.44

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
Methyl Syringate SCHEMBL211747 0.87 MEN1 (0.61) TPMTCYP3A4KDM4EMEN1KMT2A
SCHEMBL1134668 0.81 TPMT (0.73) TPMTCYP3A4KDM4EMEN1KMT2A
SCHEMBL17655659 0.81 TPMT (0.53) TPMTCYP3A4KDM4EMEN1KMT2A
SCHEMBL24425750 0.80 KMT2A (0.54) TPMTCYP3A4KDM4EMEN1KMT2A
SCHEMBL28534372 0.79 TPMT (0.53) TPMTCYP3A4KDM4EMEN1KMT2A
SCHEMBL9333497 0.79 TSHR (0.56) TPMTCYP3A4KDM4EMEN1KMT2A
SCHEMBL31520156 0.79 TSHR (0.70) TPMTCYP3A4KDM4EKMT2APOLB
SCHEMBL30740936 0.79 TSHR (0.70) TPMTCYP3A4KDM4EKMT2APOLB
SCHEMBL31238916 0.77 CNR2 (0.62) CYP3A4KDM4EMEN1KMT2APOLB
SCHEMBL3547243 0.76 MAPT (0.62) TPMTCYP3A4KDM4EMEN1KMT2A

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 TPMT 3495/4885CYP3A4 3888/4885KDM4E 2323/4885

“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.