SCHEMBL4801372

SCHEMBL4801372

CC(C)Cn1c(=O)n(C)c(=O)c2c(Br)c(Cc3ccccc3C(F)(F)F)sc21

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.75
CYP2C9 P11712 4/20 0.65
CYP3A4 P08684 1/20 0.62

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
SCHEMBL6750757 0.88 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4
SCHEMBL6343258 0.87 SLC16A1 (0.74) SLC16A1CYP2C9CYP3A4
SCHEMBL6345554 0.87 SLC16A1 (0.75) SLC16A1CYP2C9
SCHEMBL6340735 0.87 SLC16A1 (0.73) SLC16A1CYP2C9CYP3A4
SCHEMBL6642119 0.86 SLC16A1 (0.70) SLC16A1CYP2C9
SCHEMBL4802041 0.86 SLC16A1 (0.82) SLC16A1CYP2C9CYP3A4
SCHEMBL6344750 0.84 SLC16A1 (0.71) SLC16A1CYP2C9CYP3A4
SCHEMBL6355143 0.83 SLC16A1 (0.68) SLC16A1CYP2C9
SCHEMBL6352487 0.83 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4
SCHEMBL6353557 0.83 SLC16A1 (0.68) SLC16A1CYP2C9CYP3A4

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
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
US-7361660-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-04-22 US disclosed
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-6890923-B2 Compounds ASTRAZENECA AB (SE) 2005-05-10 US disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 US disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 US disclosed
EP-1280806-B1 THIENO 2,3-d]PYRIMIDINEDIONES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2004-08-04 EP disclosed
US-20040122028-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-24 US disclosed
US-20040014634-A1 Thieno[2,3-d]pyrimidinediones and their use as pharmaceuticals ASTRAZENECA AB (SE) 2004-01-22 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 (5 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-20040014634-A1 Thieno[2,3-d]pyrimidinediones and their use as pharmaceuticals DPYD, TYMP, TYMS SLC16A1 4584/4885CYP2C9 126/4885CYP3A4 188/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 SLC16A1 1397/4885CYP2C9 63/4885CYP3A4 60/4885
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 SLC16A1 3284/4885CYP2C9 89/4885CYP3A4 93/4885
US-20040122028-A1 Novel compounds DPYD, TYMS, TYMP SLC16A1 4709/4885CYP2C9 203/4885CYP3A4 160/4885
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.