SCHEMBL4368952

SCHEMBL4368952

Cc1cc(C(C)(C)C(=O)O)sc1Br

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
DAO P14920 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PPARA Q07869 2/20 0.31
GPR35 Q9HC97 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
SCHEMBL21720008 0.76 PDPK1 (0.31)
SCHEMBL1492685 0.69 DAO (0.45) DAOKMT2AKDM4EALDH1A1PPARA
SCHEMBL1492701 0.69 CES2 (0.42) CYP1A2CYP2D6DAOALDH1A1PPARA
SCHEMBL1472954 0.68 DAO (0.63) DAOMEN1KMT2AKDM4EALDH1A1
SCHEMBL132098 0.67 DAO (0.47) CYP1A2CYP2D6DAOKMT2AKDM4E
SCHEMBL126436 0.65 DAO (0.48) CYP1A2CYP2D6DAOKDM4EMAPT
SCHEMBL45690 0.64 MAPT (0.42) DAOMEN1KMT2AKDM4EALDH1A1
SCHEMBL4367730 0.64 POLB (0.41) DAOMEN1KMT2AKDM4EALDH1A1
SCHEMBL261464 0.64 CSNK2A2 (0.45) DAOMEN1KMT2AKDM4EALDH1A1
SCHEMBL2651515 0.63 DAO (0.41) DAOMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
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-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-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-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-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 CYP1A2 1510/4885CYP2D6 825/4885DAO 3058/4885
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR CYP1A2 1484/4885CYP2D6 873/4885DAO 3148/4885
US-20060235067-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR CYP1A2 1484/4885CYP2D6 873/4885DAO 3148/4885

“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.