SCHEMBL1939743

SCHEMBL1939743

COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 1.00
CCKAR P32238 1/20 0.70
PTGDR Q13258 1/20 0.59

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
SCHEMBL1939755 0.89 PTGDR2 (1.00) PTGDR2CCKAR
SCHEMBL1941139 0.89 PTGDR2 (1.00) PTGDR2CCKAR
SCHEMBL1940066 0.89 PTGDR2 (0.80) PTGDR2CCKAR
SCHEMBL1939869 0.88 PTGDR2 (0.85) PTGDR2CCKAR
SCHEMBL1939825 0.88 PTGDR2 (0.78) PTGDR2CCKAR
SCHEMBL1940068 0.87 PTGDR2 (0.83) PTGDR2CCKAR
SCHEMBL1939794 0.87 PTGDR2 (0.87) PTGDR2CCKAR
SCHEMBL1939944 0.87 PTGDR2 (1.00) PTGDR2CCKAR
SCHEMBL1941264 0.85 PTGDR2 (0.80) PTGDR2CCKAR
SCHEMBL1941967 0.84 PTGDR2 (0.78) PTGDR2CCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267518-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2013-10-10 US claimed
EP-1761529-B3 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2011-06-15 EP claimed
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2008-05-15 US claimed
EP-1761529-B1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2007-11-14 EP claimed
US-9169251-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2015-10-27 US disclosed
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG 2014-10-16 US disclosed
US-8791256-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2014-07-29 US disclosed
US-20130267518-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2013-10-10 US disclosed
US-8470848-B2 Organic compounds NOVARTIS AG (CH) 2013-06-25 US disclosed
US-8455645-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2013-06-04 US disclosed
EP-1761529-B3 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2011-06-15 EP disclosed
US-20100210610-A1 Organic compounds BALA KAMLESH JAGDIS 2010-08-19 US disclosed
US-20100204225-A1 Organic compounds BALA KAMLESH JAGDIS 2010-08-12 US disclosed
US-7666878-B2 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2010-02-23 US disclosed
US-20080312230-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2008-05-15 US disclosed
EP-1761529-B1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2007-11-14 EP 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 (6 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-20130267518-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 PTGDR2 29/4885CCKAR 1291/4885PTGDR 22/4885
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 PTGDR2 29/4885CCKAR 1291/4885PTGDR 22/4885
US-20100210610-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 PTGDR2 1399/4885CCKAR 1047/4885PTGDR 501/4885
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease CCR1, CCL2, CCL11 PTGDR2 92/4885CCKAR 510/4885PTGDR 76/4885
US-20100204225-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 PTGDR2 1399/4885CCKAR 1047/4885PTGDR 501/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 PTGDR2 534/4885CCKAR 299/4885PTGDR 107/4885

“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.