SCHEMBL2819932

SCHEMBL2819932

Cc1cc(C)cc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 8/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.45
TBXA2R P21731 1/20 0.43
ADRB1 P08588 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
EPHX2 P34913 1/20 0.39
MAPT P10636 1/20 0.39
PDE7A Q13946 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
Hydrochloric Acid SCHEMBL2821604 0.99 L3MBTL1 (0.50) L3MBTL1ALDH1A1NPSR1HPGDMCOLN3
SCHEMBL2820009 0.91 L3MBTL1 (0.48) L3MBTL1ALDH1A1NPSR1HPGDMCOLN3
SCHEMBL13108359 0.89 L3MBTL1 (0.51) L3MBTL1ALDH1A1NPSR1HPGDMCOLN3
SCHEMBL2819977 0.88 L3MBTL1 (0.53) L3MBTL1ALDH1A1NPSR1HPGDMCOLN3
SCHEMBL2820157 0.87 ALDH1A1 (0.51) L3MBTL1ALDH1A1NPSR1HPGDMCOLN3
SCHEMBL2820362 0.87 PDE7A (0.53) L3MBTL1ALDH1A1NPSR1HPGDMCOLN3
SCHEMBL697867 0.85 ALDH1A1 (0.55) L3MBTL1ALDH1A1NPSR1HPGDMCOLN3
SCHEMBL3013855 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1NPSR1HPGDMCOLN3
SCHEMBL3013858 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1NPSR1HPGDMCOLN3
SCHEMBL2820314 0.84 ALDH1A1 (0.44) L3MBTL1ALDH1A1NPSR1HPGDMCOLN3

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 L3MBTL1 4577/4885ALDH1A1 2416/4885NPSR1 175/4885

“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.