SCHEMBL2821067

SCHEMBL2821067

N#Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 2/20 0.40
TBXA2R P21731 2/20 0.39
ESRRA P11474 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TDO2 P48775 1/20 0.38
HTT P42858 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
SCHEMBL2820557 0.85 TBXA2R (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL2820383 0.85 KMT2A (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL2820494 0.85 HSPB1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL2821044 0.85 TBXA2R (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL2820014 0.84 KMT2A (0.48) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2820270 0.83 KMT2A (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL2820982 0.83 KMT2A (0.49) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2823731 0.83 KMT2A (0.43) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2820127 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL2822209 0.81 TBXA2R (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1

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 PKM 4352/4885ALDH1A1 2416/4885SMN1; SMN2 2924/4885

“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.