SCHEMBL3260069

SCHEMBL3260069

CCOC(=O)Cn1c(C)c(Cc2ccc3ccccc3n2)c2cc(F)ccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.79
PTGDR Q13258 2/20 0.79
PTGIR P43119 1/20 0.79
ALDH1A1 P00352 3/20 0.53
HK1 P19367 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SAE1 Q9UBE0 1/20 0.46

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
SCHEMBL16558834 0.92 PTGDR2 (0.82) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
Timapiprant SCHEMBL1782956 0.88 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
Timapiprant SCHEMBL29648518 0.88 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
Timapiprant SCHEMBL29379400 0.88 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL22167497 0.86 PTGDR2 (0.80) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL14658903 0.85 PTGDR2 (0.76) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL27978015 0.84 PTGDR2 (0.72) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL13640287 0.83 PTGDR2 (0.73) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL2670064 0.82 PTGDR2 (0.62) PTGDR2PTGDRPTGIRALDH1A1HK1
SCHEMBL15046163 0.81 PTGDR2 (0.52) PTGDR2PTGDRPTGIRALDH1A1HK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345897-A1 AMORPHOUS (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID Atopix Therapeutics Limited (GB) 2018-07-11 EP disclosed
EP-3345897-A1 AMORPHOUS (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID Atopix Therapeutics Limited (GB) 2018-07-11 EP disclosed
EP-2697215-B1 AMORPHOUS (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID ATOPIX THERAPEUTICS LTD (GB) 2017-11-22 EP disclosed
EP-2697215-B1 AMORPHOUS (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID ATOPIX THERAPEUTICS LTD (GB) 2017-11-22 EP disclosed
EP-2791129-B1 PROCESS FOR THE PREPARATION OF (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LTD (GB) 2015-10-07 EP disclosed
EP-2791129-B1 PROCESS FOR THE PREPARATION OF (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LTD (GB) 2015-10-07 EP disclosed
US-9102658-B2 Process for the preparation of (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-y1)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2015-08-11 US disclosed
US-9102658-B2 Process for the preparation of (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-y1)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2015-08-11 US disclosed
US-9102658-B2 Process for the preparation of (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-y1)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2015-08-11 US disclosed
US-8980918-B2 Amorphous (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-acetic acid ATOPIX THERAPEUTICS LIMITED (GB) 2015-03-17 US disclosed
US-20100056544-A1 Salts with CRTH2 Antagonist Activity OXAGEN LIMITED (GB) 2010-03-04 US disclosed
US-20100041699-A1 MICROCRYSTALLINE (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL) ACETIC ACID OXAGEN LIMITED (GB) 2010-02-18 US disclosed
US-20100041699-A1 MICROCRYSTALLINE (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL) ACETIC ACID OXAGEN LIMITED (GB) 2010-02-18 US disclosed
CN-101432264-A Salts with CRTH2 antagonist activity OXAGEN LTD (GB) 2009-05-13 CN disclosed
EP-2004602-A1 SALTS WITH CRTH2 ANTAGONIST ACTIVITY Oxagen Limited (GB) 2008-12-24 EP disclosed
CN-101133047-A Microcrystalline (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl) acetic acid OXAGEN LTD (GB) 2008-02-27 CN disclosed
EP-1856094-A1 MICROCRYSTALLINE (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)ACETIC ACID Oxagen Limited (GB) 2007-11-21 EP disclosed
WO-2007107772-A1 SALTS WITH CRTH2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2007-09-27 WO disclosed
WO-2007107772-A1 SALTS WITH CRTH2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2007-09-27 WO disclosed
WO-2006092579-A1 MICROCRYSTALLINE ( 5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL) ACETIC ACID OXAGEN LIMITED (GB) 2006-09-08 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 (2 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-20100056544-A1 Salts with CRTH2 Antagonist Activity KCNH2, KCNH1, KCNH3 PTGDR2 80/4885PTGDR 147/4885PTGIR 561/4885
US-20100041699-A1 MICROCRYSTALLINE (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL) ACETIC ACID HRH2, GRK2, GRK5 PTGDR2 6/4885PTGDR 20/4885PTGIR 68/4885

“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.