SCHEMBL4025934

SCHEMBL4025934

Cn1c(-c2cscc2NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(C(=O)O)c(O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
FAAH O00519 1/20 0.33
EPHX2 P34913 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR3C2 P08235 1/20 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
SCHEMBL4028503 0.85 ERCC1 (0.46) ERCC1FEN1ERCC4CA12CA1
SCHEMBL13647264 0.73 ALDH1A1 (0.41) CA12CA1CA9CA2ALDH1A1
SCHEMBL5122012 0.73 CA12 (0.41) CA12CA1CA9CA2ALDH1A1
SCHEMBL4028505 0.73 ALDH1A1 (0.38) ERCC1FEN1ERCC4CA12CA1
SCHEMBL22428127 0.69 HSD11B1 (0.46) CA12CA1CA9CA2ALDH1A1
SCHEMBL4029613 0.67 ERCC1 (0.47) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL22428045 0.67 HSD11B1 (0.46) CA12CA1CA9CA2ALDH1A1
SCHEMBL10564739 0.66 CA12 (0.46) CA12CA1CA9CA2ALDH1A1
SCHEMBL5118177 0.66 MAOB (0.38) CA12CA1CA9CA2NPC1
SCHEMBL11637640 0.65 KDM4E (0.60) CA12CA1CA9CA2ALDH1A1

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
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP claimed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 US claimed
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E ERCC1 3181/4885FEN1 343/4885ERCC4 1663/4885

“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.