SCHEMBL2821683

SCHEMBL2821683

N[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 3/20 0.43
MAPT P10636 2/20 0.42
TBXA2R P21731 2/20 0.40
CYP2C9 P11712 3/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2820515 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2821689 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2821303 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2819710 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6670476 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2821569 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2821135 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2820736 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2820357 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2822925 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA

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 ALDH1A1 2416/4885SMN1; SMN2 2924/4885KMT2A 2753/4885

“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.