SCHEMBL318819

SCHEMBL318819

Cc1cccc2c(-c3c(C)n(CC(=O)O)c4ccc(S(C)(=O)=O)cc34)ccnc12

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.77
PTGS1 P23219 2/20 0.77
CYP2C9 P11712 2/20 0.77
SLC6A4 P31645 1/20 0.77
CYP2C19 P33261 1/20 0.77
PTGS2 P35354 1/20 0.77
AKR1B1 P15121 1/20 0.44

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
SCHEMBL318733 0.91 PTGDR2 (0.78) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317758 0.89 PTGDR2 (0.79) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317491 0.87 PTGDR2 (1.00) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317188 0.86 PTGDR2 (0.83) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL316961 0.85 PTGDR2 (0.81) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317520 0.84 PTGDR2 (0.79) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL318054 0.83 PTGDR2 (0.77) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317449 0.83 PTGDR2 (1.00) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317511 0.83 PTGDR2 (0.77) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317919 0.82 PTGDR2 (0.84) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19

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
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US claimed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US claimed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP claimed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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
CN-104114169-A Combination of CRTH2 antagonist and a proton pump inhibitor for the treatment of eosinophilic esophagitis ATOPIX THERAPEUTICS LTD 2014-10-22 CN 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-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 PTGDR2 429/4885PTGS1 413/4885CYP2C9 378/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 PTGDR2 54/4885PTGS1 191/4885CYP2C9 3502/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885PTGS1 107/4885CYP2C9 2737/4885

“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.