SCHEMBL3828035

SCHEMBL3828035

Cc1sc2c(c1C(=O)O)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 17/20 0.47
CYP2C9 P11712 10/20 0.47
CYP3A4 P08684 7/20 0.47
ABCB11 O95342 1/20 0.47
SLC16A3 O15427 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE2A O00408 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 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
SCHEMBL3826819 0.86 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL19759436 0.80 SLC16A1 (0.41) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL4841558 0.80 SLC16A1 (0.43) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL4799270 0.79 SLC16A1 (0.58) SLC16A1CYP2C9CYP3A4
SCHEMBL3826816 0.78 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL3826814 0.78 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL3828111 0.77 SLC16A1 (0.70) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3827034 0.77 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3829224 0.77 SLC16A1 (0.76) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL5093483 0.77 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3

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.