SCHEMBL5880745

SCHEMBL5880745

Cc1ccc(S(=O)(=O)Oc2cc(C(C)(C)C)c(SS(=O)(=O)c3ccc(C)cc3)cc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.41
KMT2A Q03164 4/20 0.38
GAA P10253 4/20 0.38
MEN1 O00255 3/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP1A2 P05177 2/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
HSD11B1 P28845 1/20 0.36
HSD17B3 P37058 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL5880867 0.95 LMNA (0.39) DNMT1KMT2AGAAMEN1ESR1
SCHEMBL5880727 0.91 BCHE (0.42) DNMT1KMT2AGAAMEN1ESR1
SCHEMBL7998562 0.87 DNMT1 (0.38) DNMT1LMNABCHEACHEG6PD
SCHEMBL8007831 0.86 DNMT1 (0.38) DNMT1KMT2AMEN1LMNABCHE
SCHEMBL5880739 0.84 ALDH1A1 (0.38) DNMT1KMT2AMEN1LMNABCHE
SCHEMBL5880828 0.83 DNMT1 (0.32) DNMT1MAPK1ALDH1A1
SCHEMBL7999810 0.82 DNMT1 (0.38) DNMT1BCHEACHEG6PD
SCHEMBL5880792 0.81 KMT2A (0.38) DNMT1KMT2AGAALMNAMAPK1
SCHEMBL5880825 0.81 DNMT1 (0.38) DNMT1KMT2AGAAMEN1CYP1A2
SCHEMBL8702569 0.80 DNMT1 (0.46) DNMT1KMT2AGAAMEN1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 DNMT1 742/4885KMT2A 3031/4885GAA 977/4885

“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.