SCHEMBL1024318

SCHEMBL1024318

O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.50
GAA P10253 2/20 0.45
NSD2 O96028 1/20 0.45
PLCG1 P19174 1/20 0.45
DNMT1 P26358 1/20 0.45
CASP6 P55212 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
CA5A P35218 2/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2820721 0.98 ACP1 (0.49) ACP1GAANSD2PLCG1DNMT1
SCHEMBL668513 0.86 CYP19A1 (0.52) GAANSD2PLCG1DNMT1CASP6
SCHEMBL11228135 0.86 GAA (0.52) GAANSD2PLCG1DNMT1CASP6
SCHEMBL28543490 0.84 GAA (0.50) GAANSD2PLCG1DNMT1CASP6
SCHEMBL11221366 0.84 GAA (0.50) GAANSD2PLCG1DNMT1CASP6
SCHEMBL2880510 0.81 ACP1 (0.43) ACP1GAAKMT2AHTTCA2
SCHEMBL11685973 0.81 CA2 (0.56) ACP1GAAKMT2AHTTCA2
SCHEMBL2820718 0.81 ACP1 (0.43) ACP1GAAKMT2AHTTCA2
SCHEMBL2820707 0.81 ACP1 (0.43) ACP1GAAKMT2AHTTCA2
SCHEMBL3202730 0.79 GAA (0.50) GAANSD2PLCG1DNMT1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8242118-B2 Arylsulfonamide derivatives for use as CCR3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS INC. (US) 2012-08-14 US disclosed
US-8242118-B2 Arylsulfonamide derivatives for use as CCR3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS INC. (US) 2012-08-14 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
EP-1849469-B1 Arylsulfonamide derivatives for use as CCR3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS INC (US) 2010-10-27 EP disclosed
EP-1849469-B1 Arylsulfonamide derivatives for use as CCR3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS INC (US) 2010-10-27 EP disclosed
US-20100204213-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS BAYER HEALTHCARE AG (DE) 2010-08-12 US disclosed
US-20100204213-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS BAYER HEALTHCARE AG (DE) 2010-08-12 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO disclosed
EP-1461038-B9 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS ACTIMIS PHARMACEUTICALS INC (US) 2009-09-23 EP disclosed
EP-1461038-B9 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS ACTIMIS PHARMACEUTICALS INC (US) 2009-09-23 EP disclosed
EP-1849469-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS Actimis Pharmaceuticals, Inc., (US) 2007-10-31 EP disclosed
EP-1849469-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS Actimis Pharmaceuticals, Inc., (US) 2007-10-31 EP disclosed
EP-1461038-B1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS ACTIMIS PHARMACEUTICALS INC (US) 2007-08-01 EP disclosed
EP-1461038-B1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS ACTIMIS PHARMACEUTICALS INC (US) 2007-08-01 EP disclosed
US-20050070582-A1 Arylsulfonamide derivatives for use as ccr3 antagonists in the treatment of inflammatory and immunological disorders BAYER HEALTHCARE AG (DE) 2005-03-31 US disclosed
EP-1461038-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003022277-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS BAYER HEALTHCARE AG (DE) 2003-03-20 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-20100204213-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS CCR3, CCR1, CCR2 ACP1 3257/4885GAA 3548/4885NSD2 1654/4885
US-20050070582-A1 Arylsulfonamide derivatives for use as ccr3 antagonists in the treatment of inflammatory and immunological disorders CCR3, CCR1, CCR2 ACP1 3257/4885GAA 3548/4885NSD2 1654/4885

“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.