SCHEMBL3829773

SCHEMBL3829773

CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)OC(C)(C)C)csc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 3/20 0.39
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 6/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PDE2A O00408 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37

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
SCHEMBL7008610 0.83 PDE1A (0.41) SLC16A1ABCB11CYP3A4CYP2C9LMNA
SCHEMBL4803164 0.79 SLC16A1 (0.53) SLC16A1ABCB11CYP3A4CYP2C9LMNA
SCHEMBL7007619 0.77 SLC16A1 (0.51) SLC16A1CYP3A4CYP2C9ALDH1A1L3MBTL1
SCHEMBL4804328 0.72 ADORA2B (0.43) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL3831387 0.71 ALDH1A1 (0.40) CYP3A4CYP2C9LMNAALDH1A1SMN1; SMN2
SCHEMBL3871578 0.68 KDM4E (0.39) SLC16A1LMNAALDH1A1HTTPKM
SCHEMBL7101590 0.65 KMT2A (0.43) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL21127833 0.64 TRPC5 (0.39) SLC16A1CYP3A4CYP2C9MAPK1PDE2A
SCHEMBL3828035 0.64 SLC16A1 (0.47) SLC16A1ABCB11CYP3A4CYP2C9LMNA
SCHEMBL4799270 0.62 SLC16A1 (0.58) SLC16A1CYP3A4CYP2C9

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 7 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
EP-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO 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 3284/4885ABCB11 2516/4885CYP3A4 93/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 SLC16A1 3369/4885ABCB11 2732/4885CYP3A4 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.