SCHEMBL2449417

SCHEMBL2449417

O=S(=O)(Nc1nccnc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.66
PTGDR2 Q9Y5Y4 12/20 0.56
SLC22A12 Q96S37 5/20 0.53
CYP2C9 P11712 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
SLC22A11 Q9NSA0 1/20 0.53
SLC40A1 Q9NP59 1/20 0.53
KDM1A O60341 1/20 0.51

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
SCHEMBL2447502 0.81 PTGDR2 (0.54) RXFP1PTGDR2SLC40A1KDM1A
SCHEMBL13954204 0.80 PTGDR2 (0.54) RXFP1PTGDR2SLC22A12CYP2C9SLC22A6
SCHEMBL2418454 0.80 RXFP1 (1.00) RXFP1SLC22A12CYP2C9SLC22A6SLC22A8
SCHEMBL17578631 0.80 SLC40A1 (0.58) RXFP1PTGDR2SLC22A12CYP2C9SLC22A6
SCHEMBL11367285 0.78 SLC40A1 (0.50) RXFP1PTGDR2CYP2C9SLC40A1
SCHEMBL2444046 0.77 PTGDR2 (0.74) PTGDR2
SCHEMBL1731259 0.75 CCR4 (0.69) SLC40A1
SCHEMBL2445684 0.75 PTGDR2 (0.50) RXFP1PTGDR2SLC22A12CYP2C9SLC22A6
SCHEMBL9491248 0.75 KDM1A (0.57) RXFP1PTGDR2SLC22A12CYP2C9SLC22A6
SCHEMBL2444727 0.74 PTGDR2 (0.74) 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 10 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
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 RXFP1 1817/4885PTGDR2 84/4885SLC22A12 1046/4885

“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.