SCHEMBL3836742

SCHEMBL3836742

CC(C)(C)OC(=O)Nc1cscc1C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.39
METAP1 P53582 1/20 0.38
EGLN2 Q96KS0 2/20 0.38
TRPA1 O75762 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
CYP17A1 P05093 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PSMB8 P28062 1/20 0.36
AR P10275 1/20 0.36
PTPN1 P18031 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL1066439 0.84 METAP1 (0.45) METAP1CYP17A1CA1CA2PSMB8
SCHEMBL3039310 0.78 MAPT (0.49) METAP1CYP17A1CA1CA2PSMB8
SCHEMBL30914163 0.77 PDK1 (0.57) TTK
SCHEMBL4774446 0.77 PDK1 (0.57) TTK
SCHEMBL23960291 0.76 ATR (0.43) METAP1CYP17A1CA1CA2PSMB8
SCHEMBL22774998 0.76 CA1 (0.42) METAP1CYP17A1CA1CA2PSMB8
SCHEMBL1483110 0.76 CA1 (0.42) METAP1AAK1CYP17A1CA1CA2
SCHEMBL5029628 0.75 PTPN1 (0.56) METAP1CYP17A1CA1CA2PSMB8
SCHEMBL9209481 0.74 ATR (0.50) METAP1CYP17A1CA1CA2PSMB8
SCHEMBL27399409 0.74 METAP1 (0.39) METAP1CYP17A1CA1CA2PSMB8

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-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP disclosed
EP-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP disclosed
US-7091209-B2 Dihydroxypyridmidine carboxylic acids as viral polymerase inhibitors MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20040106627-A1 Dihydroxypyrimidine carboxylic acids as viral polymerase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECULARE P ANGELETTI SPA (IT) 2004-06-03 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-20040106627-A1 Dihydroxypyrimidine carboxylic acids as viral polymerase inhibitors DPYD, DUT, UMPS TTK 1482/4885METAP1 346/4885EGLN2 2142/4885

“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.