SCHEMBL3865151

SCHEMBL3865151

C=CCOC(=O)C(=O)C(C)Br

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 4/20 0.38
CYP3A4 P08684 1/20 0.36
MAPT P10636 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
PTP4A3 O75365 2/20 0.32
PTP4A1 Q93096 2/20 0.32
PTP4A2 Q12974 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7922554 0.83 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL10545349 0.81 TDP1 (0.36) TDP1TSHRCYP3A4
SCHEMBL476238 0.81
SCHEMBL7937962 0.79 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL5429446 0.78 CYP3A4 (0.35) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL10966895 0.75 CYP3A4 (0.45) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL29220272 0.75 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL5428036 0.75 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL177943 0.75 CYP3A4 (0.48) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL4675440 0.74

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 19 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-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080153855-A1 Thieno[2,3-d]pyrimidinedione derivatives; antiproliferative agents against T-cells; chronic obstructive pulmonary disease, asthma; immunosuppressants, antihistamines, bronchodilator agents, and anticarcinogenic agents ASTRAZENECA AB, A SWEDEN CORPORATION 2008-06-26 US disclosed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-7384951-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-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
EP-1587812-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2006-08-09 EP disclosed
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2006-03-09 US disclosed
EP-1587812-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2005-10-26 EP 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
WO-2004065394-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2004-08-05 WO disclosed
EP-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
EP-1412362-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2004-04-28 EP disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 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 (6 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-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE TPMT, TYMP, TYMS TDP1 128/4885TSHR 822/4885CYP3A4 494/4885
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease C5, HRH4, CYP2S1 TDP1 3314/4885TSHR 76/4885CYP3A4 77/4885
US-20080153855-A1 Thieno[2,3-d]pyrimidinedione derivatives; antiproliferative agents against T-cells; chronic obstructive pulmonary disease, asthma; immunosuppressants, antihistamines, bronchodilator agents, and anticarcinogenic agents HRH4, HRH2, HRH3 TDP1 2157/4885TSHR 281/4885CYP3A4 397/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 TDP1 1904/4885TSHR 1931/4885CYP3A4 60/4885
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 TDP1 1899/4885TSHR 293/4885CYP3A4 93/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 TDP1 1544/4885TSHR 178/4885CYP3A4 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.