SCHEMBL3826481

SCHEMBL3826481

CC(C)n1c(=O)n(C)c(=O)c2c(C(=O)N3CC(O)CO3)c(Cn3c(N)nc4ccccc43)sc21

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 18/20 0.69
CYP2C9 P11712 14/20 0.69
CYP3A4 P08684 10/20 0.69
SLC16A3 O15427 1/20 0.47
SLC16A7 O60669 1/20 0.39
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 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
SCHEMBL3826474 1.00 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3829661 0.91 SLC16A1 (0.84) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3829663 0.91 SLC16A1 (0.84) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826802 0.91 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826800 0.91 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3827056 0.91 SLC16A1 (0.82) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3827053 0.91 SLC16A1 (0.82) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826917 0.89 SLC16A1 (0.70) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL14163899 0.88 SLC16A1 (0.54) SLC16A1CYP2C9CYP3A4SLC16A7MEN1
SCHEMBL3829850 0.85 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7

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 10 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 claimed
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 US claimed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US claimed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP claimed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 US claimed
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.