SCHEMBL4031833

SCHEMBL4031833

COC(=O)c1nc(-c2sccc2C=O)n(C)c(=O)c1OC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.31
PRTN3 P24158 1/20 0.31
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL4030445 0.88 ALDH1A1 (0.33) ERCC1FEN1ERCC4ALDH1A1CYP1A2
SCHEMBL4028095 0.86 GABRP (0.32) ERCC1FEN1ERCC4ALDH1A1CYP1A2
SCHEMBL4029058 0.85 ERCC1 (0.36) ERCC1FEN1ERCC4ALDH1A1CYP1A2
SCHEMBL4026719 0.83 ALDH1A1 (0.34) ERCC1FEN1ERCC4ALDH1A1MAPT
SCHEMBL4029963 0.82 ERCC1 (0.45) ERCC1FEN1ERCC4ALDH1A1ADORA2A
SCHEMBL1150702 0.78 ADORA2A (0.42) ALDH1A1ADORA2AADORA2BMAPT
SCHEMBL4027808 0.78 DHFR (0.31)
SCHEMBL6631262 0.77 SMN1; SMN2 (0.33) ELANEERCC1FEN1ERCC4ALDH1A1
SCHEMBL4026532 0.76 ERCC1 (0.33) ERCC1FEN1ERCC4ALDH1A1CYP1A2
SCHEMBL4028309 0.74 ALDH1A1 (0.34) ERCC1FEN1ERCC4ALDH1A1ADORA2A

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 4 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 disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 US disclosed
EP-1470113-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-10-27 EP disclosed
WO-2003062211-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-07-31 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E ELANE 1183/4885PRTN3 72/4885ERCC1 3181/4885

“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.