SCHEMBL2445684

SCHEMBL2445684

O=S(=O)(Nc1nccnc1C#CCO)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.50
RXFP1 Q9HBX9 1/20 0.47
SLC40A1 Q9NP59 1/20 0.46
SLC22A12 Q96S37 4/20 0.46
CYP2C9 P11712 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
SLC22A11 Q9NSA0 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
SCHEMBL13954204 0.80 PTGDR2 (0.54) PTGDR2RXFP1SLC40A1SLC22A12CYP2C9
SCHEMBL2449417 0.75 RXFP1 (0.66) PTGDR2RXFP1SLC40A1SLC22A12CYP2C9
SCHEMBL17578631 0.74 SLC40A1 (0.58) PTGDR2RXFP1SLC40A1SLC22A12CYP2C9
SCHEMBL2444727 0.74 PTGDR2 (0.74) PTGDR2
SCHEMBL2444046 0.70 PTGDR2 (0.74) PTGDR2
SCHEMBL2444023 0.70 PTGDR2 (0.68) PTGDR2
SCHEMBL20627706 0.68 PTGDR2 (0.63) PTGDR2RXFP1SLC40A1SLC22A12CYP2C9
SCHEMBL27710758 0.68 HSD11B1 (0.50) PTGDR2RXFP1
SCHEMBL2444120 0.67 EPHX2 (0.55) PTGDR2RXFP1SLC40A1SLC22A12CYP2C9
SCHEMBL2444220 0.67 PTGDR2 (1.00) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796280-B2 2,3-disubstituted pyrazinesulfonamides as CRTH2 inhibitors Merck Serono, S.A. (CH) 2014-08-05 US disclosed
US-8796280-B2 2,3-disubstituted pyrazinesulfonamides as CRTH2 inhibitors Merck Serono, S.A. (CH) 2014-08-05 US disclosed
US-8796280-B2 2,3-disubstituted pyrazinesulfonamides as CRTH2 inhibitors Merck Serono, S.A. (CH) 2014-08-05 US disclosed
EP-1871374-B1 2,3 SUBSTITUTED PYRAZINE SULFONAMIDES AS INHIBITORS OF CRTH2 MERCK SERONO SA (CH) 2011-09-14 EP disclosed
EP-1871374-B1 2,3 SUBSTITUTED PYRAZINE SULFONAMIDES AS INHIBITORS OF CRTH2 MERCK SERONO SA (CH) 2011-09-14 EP disclosed
US-20090054447-A1 2,3 Substituted Pyrazine Sulfonamides as Inhibitors of CRTH2 LABORATOIRES SERONO S.A. (CH) 2009-02-26 US disclosed
US-20090054447-A1 2,3 Substituted Pyrazine Sulfonamides as Inhibitors of CRTH2 LABORATOIRES SERONO S.A. (CH) 2009-02-26 US disclosed
EP-1871374-A2 2,3 SUBSTITUTED PYRAZINE SULFONAMIDES AS INHIBITORS OF CRTH2 Laboratoires Serono SA (CH) 2008-01-02 EP disclosed
WO-2006111560-A2 2,3 SUBSTITUTED PYRAZINE SULFONAMIDES AS INHIBITORS OF CRTH2 LABORATOIRES SERONO S.A. (CH) 2006-10-26 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 (1 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-20090054447-A1 2,3 Substituted Pyrazine Sulfonamides as Inhibitors of CRTH2 HRH2, HRH1, HRH4 PTGDR2 84/4885RXFP1 1817/4885SLC40A1 2637/4885

“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.