SCHEMBL2820157

SCHEMBL2820157

O=[N+]([O-])c1ccc(Sc2cc(Cl)cc(Cl)c2)c(S(=O)(=O)N2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
MAPT P10636 2/20 0.43
PDE7A Q13946 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL2821027 0.91 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL13157463 0.89 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL693878 0.87 USP2 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2819932 0.87 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2820362 0.87 PDE7A (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL13157394 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL2821604 0.86 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2820314 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2822158 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL3833133 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1

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-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 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 ALDH1A1 2416/4885SMN1; SMN2 2924/4885MEN1 4873/4885

“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.