SCHEMBL3855826

SCHEMBL3855826

Cc1sc2c(c1C(=O)O)c(=O)[nH]c(=O)n2C(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
TPH1 P17752 1/20 0.30
TPH2 Q8IWU9 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL4841558 0.74 SLC16A1 (0.43)
SCHEMBL11168799 0.69 KDM4E (0.34) POLBMAPTKDM4EALDH1A1HPGD
Water SCHEMBL10962142 0.68 KDM4E (0.33) POLBMAPTKDM4EALDH1A1HPGD
Potassium Ion SCHEMBL11168797 0.66 ALDH1A1 (0.32) POLBMAPTKDM4EALDH1A1HPGD
SCHEMBL2632475 0.64 POLB (0.43) POLBKDM4EGAA
SCHEMBL11166937 0.63 MAPT (0.34) POLBMAPTKDM4EALDH1A1HPGD
SCHEMBL10963172 0.63 ALDH1A1 (0.35) POLBMAPTKDM4EALDH1A1HPGD
SCHEMBL10963606 0.63 HSD17B10 (0.34) POLBMAPTKDM4EALDH1A1HPGD
Water SCHEMBL10961677 0.62 ALDH1A1 (0.34) POLBMAPTKDM4EALDH1A1HPGD
SCHEMBL12730589 0.60 PGR (0.46) POLBKDM4EGAA

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 POLB 2047/4885TPH1 192/4885TPH2 519/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 POLB 2660/4885TPH1 266/4885TPH2 543/4885

“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.