SCHEMBL4367730

SCHEMBL4367730

Cc1cc(CC(=O)O)sc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.38
HPGD P15428 4/20 0.36
TSHR P16473 1/20 0.36
GSK3B P49841 2/20 0.35
KMT2A Q03164 3/20 0.35
AGBL2 Q5U5Z8 2/20 0.35
THRB P10828 2/20 0.35
MAPT P10636 5/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
DAO P14920 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RPS6KB2 Q9UBS0 1/20 0.33
THRA P10827 1/20 0.33

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
SCHEMBL29185140 0.80 GSK3B (0.50) POLBL3MBTL1HPGDGSK3BKMT2A
SCHEMBL3444431 0.80 MAPT (0.50) POLBL3MBTL1ALOX15HPGDTSHR
SCHEMBL5582086 0.79 POLB (0.40) POLBL3MBTL1ALOX15HPGDGSK3B
SCHEMBL27415680 0.77 POLB (0.41) POLBL3MBTL1ALOX15HPGDTSHR
SCHEMBL10690798 0.77 POLB (0.41) POLBL3MBTL1ALOX15HPGDKMT2A
SCHEMBL28736806 0.77 DAO (0.53) POLBL3MBTL1ALOX15HPGDTSHR
SCHEMBL7351632 0.76 HPGD (0.41) POLBL3MBTL1ALOX15HPGDTSHR
SCHEMBL16179813 0.75
SCHEMBL1472954 0.74 DAO (0.63) L3MBTL1ALOX15HPGDGSK3BKMT2A
SCHEMBL12514866 0.73

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
EP-1543012-B1 6H-THIEN 2, 3-B]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-07-16 EP disclosed
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-7132442-B2 6H-thieno[2, 3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20060235067-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2006-10-19 US disclosed
US-20060004082-A1 6H-thieno'2, 3-b!pyrrole derivatives as antagonists of gonadotropin releasing hormone (gnrh) ASTRAZENECA (SE) 2006-01-05 US disclosed
EP-1543012-A1 6H-THIEN 2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) AstraZeneca AB (SE) 2005-06-22 EP disclosed
WO-2004018480-A1 6H-THIENO`2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2004-03-04 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 (3 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-20060004082-A1 6H-thieno'2, 3-b!pyrrole derivatives as antagonists of gonadotropin releasing hormone (gnrh) GNRHR, PRLHR, GHRHR POLB 3694/4885L3MBTL1 4182/4885ALOX15 3969/4885
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR POLB 3737/4885L3MBTL1 4412/4885ALOX15 4101/4885
US-20060235067-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR POLB 3737/4885L3MBTL1 4412/4885ALOX15 4101/4885

“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.