SCHEMBL3829185

SCHEMBL3829185

COC(=O)c1c(C)sc2c1c(=O)n(C)c(=O)n2C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.34
GAA P10253 4/20 0.34
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADORA2B P29275 2/20 0.33
LMNA P02545 2/20 0.32
NGFR P08138 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HPD P32754 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL4841558 0.85 SLC16A1 (0.43) SLC16A1ABCB11CYP3A4CYP2C9ADORA2B
SCHEMBL3831679 0.83 SLC16A1 (0.45) SLC16A1ALDH1A1KDM4EMAPTHPGD
SCHEMBL3826819 0.81 SLC16A1 (0.49) SLC16A1ALDH1A1ABCB11CYP3A4CYP2C9
SCHEMBL3829619 0.79 ADORA2B (0.45) SLC16A1ALDH1A1KDM4EMAPTHPGD
SCHEMBL3826401 0.78 ADORA2B (0.44) SLC16A1ALDH1A1KDM4EMAPTHPGD
SCHEMBL4803812 0.75 SLC16A1 (0.61) SLC16A1ALDH1A1KDM4EHPGDGAA
SCHEMBL2208814 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL4840916 0.73 SLC16A1 (0.51) SLC16A1CYP3A4CYP2C9
SCHEMBL3833052 0.71 SLC16A1 (0.43) SLC16A1ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL5097011 0.70 SLC16A1 (0.47) SLC16A1ABCB11CYP3A4CYP2C9

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 12 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-20080221131-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-7393854-B2 Thienopyrimidinedinones and their use in modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-07-01 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-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-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20060135539-A1 Thienopyridazinones and their use in modulation of autoimmune disease ASTRAZENECA AB (SE) 2006-06-22 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

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-20080221131-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN MODULATION OF AUTOIMMUNE DISEASE TPMT, TYMP, TYMS SLC16A1 4627/4885ALDH1A1 213/4885KDM4E 1729/4885
US-20060135539-A1 Thienopyridazinones and their use in modulation of autoimmune disease TBXA2R, PTGER2, TBXAS1 SLC16A1 4795/4885ALDH1A1 252/4885KDM4E 786/4885
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 SLC16A1 4716/4885ALDH1A1 463/4885KDM4E 2323/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 SLC16A1 1397/4885ALDH1A1 401/4885KDM4E 181/4885
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 SLC16A1 3284/4885ALDH1A1 84/4885KDM4E 1355/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 SLC16A1 3369/4885ALDH1A1 242/4885KDM4E 2081/4885

“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.