SCHEMBL5880828

SCHEMBL5880828

Cc1ccc(S(=O)(=O)Sc2cc(C)c(OS(=O)(=O)c3cn(C)cn3)cc2C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5880745 0.83 DNMT1 (0.41) DNMT1ALDH1A1MAPK1
SCHEMBL5880867 0.79 LMNA (0.39) DNMT1ALDH1A1MAPK1
SCHEMBL7998562 0.76 DNMT1 (0.38) DNMT1
SCHEMBL5880727 0.76 BCHE (0.42) DNMT1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5880792 0.75 KMT2A (0.38) DNMT1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8007831 0.75 DNMT1 (0.38) DNMT1ALDH1A1
SCHEMBL7999810 0.74 DNMT1 (0.38) DNMT1
SCHEMBL5880739 0.74 ALDH1A1 (0.38) DNMT1ALDH1A1
SCHEMBL5880825 0.73 DNMT1 (0.38) DNMT1ALDH1A1SMN1; SMN2
SCHEMBL8008848 0.72 PTGDR2 (0.43) DNMT1

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 2 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

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 742/4885ALDH1A1 729/4885MAPK1 1423/4885

“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.