SCHEMBL1785965

SCHEMBL1785965

Cc1c(C(C)c2ccc(C(C)(C)C)cc2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.56
CYP2C9 P11712 1/20 0.48
PTGDR Q13258 1/20 0.48
AKR1B1 P15121 2/20 0.47

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
SCHEMBL1785003 0.92 PTGDR2 (0.56) PTGDR2CYP2C9PTGDRAKR1B1
SCHEMBL5749192 0.87 PTGDR2 (0.60) PTGDR2CYP2C9PTGDRAKR1B1
SCHEMBL1787716 0.87 PTGDR2 (0.64) PTGDR2CYP2C9PTGDRAKR1B1
SCHEMBL1788163 0.85 PTGDR2 (0.66) PTGDR2CYP2C9PTGDRAKR1B1
SCHEMBL5739375 0.83 PTGDR2 (0.55) PTGDR2CYP2C9PTGDRAKR1B1
SCHEMBL1786162 0.82 PTGDR2 (0.62) PTGDR2CYP2C9PTGDR
SCHEMBL1782692 0.78 PTGDR2 (0.72) PTGDR2
SCHEMBL2088388 0.75 PTGDR2 (0.52) PTGDR2CYP2C9PTGDRAKR1B1
SCHEMBL27645796 0.74 PTGDR2 (0.53) PTGDR2CYP2C9PTGDRAKR1B1
SCHEMBL19361446 0.74 PTGDR2 (0.63) PTGDR2CYP2C9PTGDRAKR1B1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20130052190-A1 CRTH2 Antagonists for Treatment of Eosinophilic Diseases and Conditions OXAGEN LIMITED (GB) 2013-02-28 US claimed
US-8314257-B2 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2012-11-20 US claimed
US-8198314-B2 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2012-06-12 US claimed
US-8163936-B2 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2012-04-24 US claimed
US-8163931-B2 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2012-04-24 US claimed
US-20110124683-A1 Use of CRTH2 Antagonist Compounds OXAGEN LIMITED (GB) 2011-05-26 US claimed
EP-2219645-A2 USE OF CRTH2 ANTAGONIST COMPOUNDS Oxagen Limited (GB) 2010-08-25 EP claimed
US-7582672-B2 Compounds for the treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2009-09-01 US claimed
EP-1682121-B1 USE OF CRTH2 ANTAGONIST COMPOUNDS IN THERAPY OXAGEN LTD (GB) 2009-08-12 EP claimed
WO-2009063202-A2 USE OF CRTH2 ANTAGONIST COMPOUNDS OXAGEN LIMITED (GB) 2009-05-22 WO claimed
EP-2060258-A1 Use of CRTH2 antagonist compounds in therapy Oxagen Limited (GB) 2009-05-20 EP claimed
US-20090018138-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2009-01-15 US claimed
US-20090018139-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2009-01-15 US claimed
EP-1682121-A1 USE OF CRTH2 ANTAGONIST COMPOUNDS IN THERAPY Oxagen Limited (GB) 2006-07-26 EP claimed
US-20050119268-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2005-06-02 US claimed
WO-2005044260-A1 USE OF CRTH2 ANTAGONIST COMPOUNDS IN THERAPY OXAGEN LIMITED (GB) 2005-05-19 WO 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-20050119268-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2005-06-02 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 (7 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-20090018138-A1 Treatment of CRTH2-mediated diseases and conditions PTGDR2, PTGER2, PTGES2 PTGDR2 1/4885CYP2C9 3770/4885PTGDR 4/4885
US-20050119268-A1 Treatment of CRTH2-mediated diseases and conditions PTGDR2, PTGER2, PTGES2 PTGDR2 1/4885CYP2C9 3770/4885PTGDR 4/4885
US-20090018139-A1 Treatment of CRTH2-mediated diseases and conditions PTGDR2, PTGER2, PTGES2 PTGDR2 1/4885CYP2C9 3770/4885PTGDR 4/4885
US-20110124683-A1 Use of CRTH2 Antagonist Compounds HRH2, HRH1, HRH4 PTGDR2 25/4885CYP2C9 2730/4885PTGDR 47/4885
US-20130052190-A1 CRTH2 Antagonists for Treatment of Eosinophilic Diseases and Conditions HRH2, HRH1, HRH4 PTGDR2 58/4885CYP2C9 3419/4885PTGDR 119/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885CYP2C9 2737/4885PTGDR 108/4885
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS IDO1, IDO2, SI PTGDR2 1790/4885CYP2C9 910/4885PTGDR 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.