SCHEMBL2821696

SCHEMBL2821696

O=[N+]([O-])c1ccc(Sc2cc(Cl)cc(Cl)c2)c(S(=O)(=O)NCC2CCNCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
PDE7A Q13946 4/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7B Q9NP56 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DRD2 P14416 1/20 0.34
ADRA2C P18825 1/20 0.34
NPY1R P25929 1/20 0.34
NPY5R Q15761 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL2821299 0.81 TBXA2R (0.45) TBXA2R
SCHEMBL2821380 0.79 TBXA2R (0.44) TBXA2RMEN1KMT2APDE7APDE4B
SCHEMBL2820157 0.78 ALDH1A1 (0.51) MEN1KMT2APDE7APDE4BPDE4D
SCHEMBL6982501 0.77 ALDH1A1 (0.46) HTR2CHTR2BMEN1KMT2AALDH1A1
SCHEMBL2819990 0.75 SMN1; SMN2 (0.53) TBXA2RMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21465270 0.74 HTR2C (0.53) HTR2CHTR2BMEN1KMT2AALDH1A1
SCHEMBL2821621 0.74 KMT2A (0.47) TBXA2RMEN1KMT2APDE7APDE4B
SCHEMBL13157463 0.74 ALDH1A1 (0.51) MEN1KMT2APDE7APDE4BPDE4D
SCHEMBL2822158 0.73 ALDH1A1 (0.53) MEN1KMT2APDE7AALDH1A1SMN1; SMN2
SCHEMBL2819259 0.73 HRH3 (0.41) TBXA2RMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-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-7700586-B2 Arylsulfonamide derivatives for use as ccr3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS, INC. (US) 2010-04-20 US 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-20100204213-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS CCR3, CCR1, CCR2 TBXA2R 1120/4885HTR2C 801/4885HTR2B 563/4885

“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.