SCHEMBL2549980

SCHEMBL2549980

Cc1c(Sc2ccc(S(C)(=O)=O)cc2)c2cc(-c3ccsc3)ccc2n1CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.72
AKR1B1 P15121 10/20 0.72
CYP2C9 P11712 3/20 0.72

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
SCHEMBL4274589 0.93 PTGDR2 (0.63) PTGDR2AKR1B1CYP2C9
SCHEMBL1251040 0.86 PTGDR2 (0.54) PTGDR2AKR1B1CYP2C9
SCHEMBL1252380 0.85 PTGDR2 (0.69) PTGDR2AKR1B1CYP2C9
SCHEMBL1252422 0.85 PTGDR2 (0.72) PTGDR2AKR1B1CYP2C9
SCHEMBL1405977 0.84 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9
Ammonia Solution, Strong SCHEMBL27605865 0.83 PTGDR2 (0.98) PTGDR2AKR1B1CYP2C9
SCHEMBL1251019 0.83 PTGDR2 (0.68) PTGDR2AKR1B1CYP2C9
SCHEMBL1251026 0.83 PTGDR2 (0.68) PTGDR2AKR1B1CYP2C9
SCHEMBL1249482 0.82 PTGDR2 (0.80) PTGDR2AKR1B1CYP2C9
SCHEMBL3563092 0.81 PTGDR2 (0.69) PTGDR2AKR1B1CYP2C9

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-20120178764-A1 Novel Compounds BONNERT ROGER (GB) 2012-07-12 US claimed
US-20110263614-A1 Novel compounds BONNERT ROGER 2011-10-27 US claimed
US-20090163518-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-06-25 US claimed
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles ASTRAZENECA AB (SE) 2008-10-09 US claimed
EP-1656346-A1 NOVEL SUBSTITUTED 3-SULFUR INDOLES AstraZeneca AB (SE) 2006-05-17 EP claimed
WO-2004106302-A1 NOVEL SUBSTITUTED 3-SULFUR INDOLES ASTRAZENECA AB (SE) 2004-12-09 WO claimed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
EP-2790696-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS Atopix Therapeutics Limited (GB) 2014-10-22 EP disclosed
WO-2013088109-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS OXAGEN LIMITED (GB) 2013-06-20 WO disclosed
US-20120178764-A1 Novel Compounds BONNERT ROGER (GB) 2012-07-12 US disclosed
US-20110263614-A1 Novel compounds BONNERT ROGER 2011-10-27 US disclosed
US-7687535-B2 Substituted 3-sulfur indoles ASTRAZENECA AB (SE) 2010-03-30 US disclosed
US-20090163518-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-06-25 US disclosed
EP-2025670-A1 3-(Phenyl or quinolyl)thio-1H-indole-1-acetic acid derivatives as modulators of CRTh2 receptor activity AstraZeneca AB (SE) 2009-02-18 EP disclosed
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles ASTRAZENECA AB (SE) 2008-10-09 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 (5 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-20120178764-A1 Novel Compounds IDO1, IDO2, MTNR1A PTGDR2 227/4885AKR1B1 1072/4885CYP2C9 967/4885
US-20090163518-A1 Novel Compounds IDO1, IDO2, MTNR1A PTGDR2 227/4885AKR1B1 1072/4885CYP2C9 967/4885
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles IDO1, IDO2, AANAT PTGDR2 885/4885AKR1B1 2196/4885CYP2C9 1092/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885AKR1B1 3801/4885CYP2C9 2737/4885
US-20110263614-A1 Novel compounds IDO1, IDO2, MTNR1A PTGDR2 227/4885AKR1B1 1072/4885CYP2C9 967/4885

“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.