SCHEMBL3829178

SCHEMBL3829178

COC(=O)c1c(Cn2c(=O)oc3ccccc32)sc2c1c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 19/20 0.52
CYP2C9 P11712 9/20 0.52
CYP3A4 P08684 5/20 0.52
ABCB11 O95342 1/20 0.48
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4923253 0.90 SLC16A1 (0.52) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL3871428 0.89 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL4802281 0.88 SLC16A1 (0.64) SLC16A1CYP2C9CYP3A4ABCB11MEN1
SCHEMBL4804153 0.87 SLC16A1 (0.56) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL3833122 0.84 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL3833615 0.83 SLC16A1 (0.52) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL5788817 0.83 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL3827850 0.82 SLC16A1 (0.71) SLC16A1CYP2C9CYP3A4
SCHEMBL3827852 0.82 SLC16A1 (0.71) SLC16A1CYP2C9CYP3A4
SCHEMBL3833746 0.80 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4ABCB11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 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 (2 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-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 SLC16A1 3284/4885CYP2C9 89/4885CYP3A4 93/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 SLC16A1 3369/4885CYP2C9 71/4885CYP3A4 103/4885

“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.