SCHEMBL1940171

SCHEMBL1940171

CS(=O)(=O)c1ccc(CBr)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ABCB11 O95342 1/20 0.38
CCR2 P41597 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
KIF11 P52732 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL12059397 0.85 PTGDR2 (0.46) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1146258 0.83 PTGDR2 (0.42) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL249100 0.82 PTGDR2 (0.42) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2394698 0.80 PTGDR2 (0.47) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10278682 0.80 PTGDR2 (0.40) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1017626 0.79 L3MBTL1 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGCCR2
SCHEMBL30945237 0.77 PFKFB3 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGABCB11
SCHEMBL30457289 0.77 CCR2 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGCCR2
SCHEMBL1940002 0.77 CCR2 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGCCR2
SCHEMBL709661 0.77 PFKFB3 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGABCB11

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-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
EP-1963317-A1 USE OF PYRROLO [2 , 3-B]PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN Novartis AG (CH) 2008-09-03 EP 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
WO-2007068418-A1 USE OF PYRROLO [2 , 3-B] PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN NOVARTIS AG (CH) 2007-06-21 WO disclosed
EP-1761529-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Novartis AG (CH) 2007-03-14 EP disclosed
WO-2005123731-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2005-12-29 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 (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 29/4885PIK3CD 3804/4885PIK3CA 3183/4885
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 PTGDR2 29/4885PIK3CD 3804/4885PIK3CA 3183/4885
US-20100210610-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 PTGDR2 1399/4885PIK3CD 3433/4885PIK3CA 1886/4885
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 92/4885PIK3CD 4824/4885PIK3CA 4789/4885
US-20100204225-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 PTGDR2 1399/4885PIK3CD 3433/4885PIK3CA 1886/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 PTGDR2 534/4885PIK3CD 3578/4885PIK3CA 2106/4885

“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.