SCHEMBL2821708

SCHEMBL2821708

Cc1ccc([N+](=O)[O-])c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
TBXA2R P21731 2/20 0.46
MCOLN3 Q8TDD5 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 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
SCHEMBL693835 0.91 ALDH1A1 (0.55) L3MBTL1ALDH1A1TBXA2RMCOLN3NPSR1
SCHEMBL2819731 0.90 ALDH1A1 (0.51) L3MBTL1ALDH1A1TBXA2RMCOLN3NPSR1
SCHEMBL2821319 0.87 ALDH1A1 (0.58) L3MBTL1ALDH1A1TBXA2RMCOLN3NPSR1
SCHEMBL2818841 0.86 KMT2A (0.53) L3MBTL1ALDH1A1KDM4ETBXA2RMCOLN3
SCHEMBL2821646 0.86 L3MBTL1 (0.54) L3MBTL1ALDH1A1TBXA2RMCOLN3NPSR1
SCHEMBL2819893 0.84 L3MBTL1 (0.51) L3MBTL1ALDH1A1TBXA2RMCOLN3NPSR1
SCHEMBL2819885 0.84 TBXA2R (0.55) L3MBTL1ALDH1A1TBXA2RMCOLN3NPSR1
Hydrochloric Acid SCHEMBL3014573 0.83 L3MBTL1 (0.50) L3MBTL1ALDH1A1TBXA2RMCOLN3NPSR1
SCHEMBL2821044 0.83 TBXA2R (0.53) L3MBTL1ALDH1A1TBXA2RMCOLN3NPSR1
SCHEMBL2819545 0.82 L3MBTL1 (0.54) L3MBTL1ALDH1A1TBXA2RMCOLN3NPSR1

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 2416/4885KDM4E 2956/4885

“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.