SCHEMBL2881003

SCHEMBL2881003

CCc1ccc(Br)cc1S(=O)(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.47
EDNRA P25101 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.37
GAA P10253 2/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TRPV4 Q9HBA0 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL8536911 0.87 EDNRB (0.50) EDNRBEDNRASMN1; SMN2GLATSHR
SCHEMBL552405 0.85 SMN1; SMN2 (0.41) EDNRBEDNRASMN1; SMN2GLATSHR
SCHEMBL25609114 0.85 GLA (0.38) EDNRBEDNRASMN1; SMN2GLATSHR
SCHEMBL4312466 0.83 PTGDR2 (0.39) EDNRBEDNRASMN1; SMN2GLATSHR
SCHEMBL25053095 0.82 EDNRB (0.48) EDNRBEDNRASMN1; SMN2GLATSHR
SCHEMBL1930830 0.78 EDNRB (0.46) EDNRBEDNRASMN1; SMN2TSHRALDH1A1
SCHEMBL11046300 0.78 ALDH1A1 (0.37) ALDH1A1TRPV4
SCHEMBL29054624 0.77 KDM4E (0.41) SMN1; SMN2TSHRTRPV4MEN1KMT2A
SCHEMBL8493386 0.77 L3MBTL1 (0.40) TSHRALDH1A1GAATRPV4HPGD
SCHEMBL11507492 0.77 GLA (0.42) EDNRBEDNRASMN1; SMN2GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
US-7750005-B2 Substituted hexahydropyrazino [1,2-A] pyrimidine-4,7-dione derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-06 US disclosed
CN-101495449-A 2-phenyl-indoles as prostaglandin D2 receptor antagonists SANOFI AVENTIS (FR) 2009-07-29 CN disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
US-20080221113-A1 SUBSTITUTED HEXAHYDROPYRAZINO [1,2-A] PYRIMIDINE-4,7-DIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-09-11 US disclosed
US-7390814-B2 Substituted hexahydropyrazino [1,2-a] pyrimidine-4,7-dione derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-24 US disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 WO disclosed
EP-1599480-A1 SUBSTITUTED HEXAHYDROPYRAZINO(1,2-A)PYRIMIDIN-4,7-DION DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20050004131-A1 Substituted hexahydropyrazino (1,2-a) pyrimidine-4,7-dione derivatives, processes for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-06 US disclosed
WO-2004072076-A1 SUBSTITUTED HEXAHYDROPYRAZINO(1,2-A)PYRIMIDIN-4,7-DION DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed
CN-1061652-C Endotheliomycine receptor antagonist MERCK PATENT GMBH (DE) 2001-02-07 CN disclosed
US-5726194-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 US disclosed
CN-1141919-A Endotheliomycine receptor antagonist MOOK PATENT AG (DE) 1997-02-05 CN 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-20080221113-A1 SUBSTITUTED HEXAHYDROPYRAZINO [1,2-A] PYRIMIDINE-4,7-DIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DPYD, TYMP, DHPS EDNRB 1917/4885EDNRA 1412/4885SMN1; SMN2 1998/4885
US-20050004131-A1 Substituted hexahydropyrazino (1,2-a) pyrimidine-4,7-dione derivatives, processes for their preparation and their use as medicaments DPYD, TYMP, G6PD EDNRB 1937/4885EDNRA 1367/4885SMN1; SMN2 1986/4885
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 EDNRB 152/4885EDNRA 315/4885SMN1; SMN2 3283/4885

“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.