SCHEMBL1783342

SCHEMBL1783342

Cc1c(C(c2ccc[nH]2)S(=O)(=O)c2ccc(Cl)cc2Cl)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.51
AKR1B1 P15121 2/20 0.47
PTGDR Q13258 2/20 0.43
CYP2C9 P11712 1/20 0.40

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
SCHEMBL2539312 0.89 PTGDR2 (0.47) PTGDR2AKR1B1PTGDRCYP2C9
SCHEMBL1422452 0.85 PTGDR2 (0.52) PTGDR2PTGDRCYP2C9
SCHEMBL2544964 0.83 PTGDR2 (0.50) PTGDR2AKR1B1PTGDRCYP2C9
SCHEMBL2910370 0.78 LGALS8 (0.34) PTGDR2
SCHEMBL2541818 0.76 SMN1; SMN2 (0.44) PTGDR2PTGDRCYP2C9
SCHEMBL1467977 0.76 PTGDR2 (0.62) PTGDR2AKR1B1PTGDRCYP2C9
SCHEMBL5320658 0.73 SMN1; SMN2 (0.41) PTGDR2PTGDRCYP2C9
SCHEMBL1466556 0.72 PTGDR2 (0.75) PTGDR2PTGDR
SCHEMBL1466409 0.72 PTGDR2 (0.56) PTGDR2PTGDRCYP2C9
SCHEMBL1787716 0.72 PTGDR2 (0.64) PTGDR2AKR1B1PTGDRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083557-B1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LTD (GB) 2017-11-29 EP claimed
US-9828359-B2 Process for the preparation of 3-substituted (indol-1-yl)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2017-11-28 US claimed
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ZACH SYSTEM SPA (IT) 2017-10-26 US claimed
EP-3083557-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS Atopix Therapeutics Limited (GB) 2016-10-26 EP claimed
WO-2015092372-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LIMITED (GB) 2015-06-25 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 claimed
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 claimed
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 claimed
US-20130052190-A1 CRTH2 Antagonists for Treatment of Eosinophilic Diseases and Conditions OXAGEN LIMITED (GB) 2013-02-28 US claimed
US-20110124683-A1 Use of CRTH2 Antagonist Compounds OXAGEN LIMITED (GB) 2011-05-26 US claimed
EP-3083557-B1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LTD (GB) 2017-11-29 EP disclosed
US-9828359-B2 Process for the preparation of 3-substituted (indol-1-yl)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2017-11-28 US disclosed
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ZACH SYSTEM SPA (IT) 2017-10-26 US disclosed
EP-3083557-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS Atopix Therapeutics Limited (GB) 2016-10-26 EP disclosed
WO-2015092372-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LIMITED (GB) 2015-06-25 WO disclosed
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-20130052190-A1 CRTH2 Antagonists for Treatment of Eosinophilic Diseases and Conditions OXAGEN LIMITED (GB) 2013-02-28 US disclosed
US-20110124683-A1 Use of CRTH2 Antagonist Compounds OXAGEN LIMITED (GB) 2011-05-26 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 (4 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-20110124683-A1 Use of CRTH2 Antagonist Compounds HRH2, HRH1, HRH4 PTGDR2 25/4885AKR1B1 271/4885PTGDR 47/4885
US-20130052190-A1 CRTH2 Antagonists for Treatment of Eosinophilic Diseases and Conditions HRH2, HRH1, HRH4 PTGDR2 58/4885AKR1B1 668/4885PTGDR 119/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885AKR1B1 3801/4885PTGDR 108/4885
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS IDO1, IDO2, SI PTGDR2 1790/4885AKR1B1 118/4885PTGDR 1547/4885

“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.