SCHEMBL2818873

SCHEMBL2818873

CC(C)c1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HPGD P15428 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
TBXA2R P21731 8/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR55 Q9Y2T6 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
SCHEMBL2820559 0.89 KMT2A (0.48) ALDH1A1NPSR1HPGDMCOLN3TBXA2R
SCHEMBL2823049 0.88 ALDH1A1 (0.49) ALDH1A1NPSR1HPGDMCOLN3TBXA2R
SCHEMBL2819885 0.87 TBXA2R (0.55) ALDH1A1NPSR1HPGDMCOLN3TBXA2R
SCHEMBL2820982 0.86 KMT2A (0.49) ALDH1A1NPSR1HPGDMCOLN3TBXA2R
SCHEMBL2824268 0.85 KMT2A (0.46) ALDH1A1NPSR1HPGDMCOLN3TBXA2R
SCHEMBL2820338 0.85 TBXA2R (0.54) ALDH1A1NPSR1HPGDMCOLN3TBXA2R
SCHEMBL2821007 0.85 ALDH1A1 (0.49) ALDH1A1NPSR1HPGDMCOLN3TBXA2R
SCHEMBL2823434 0.85 HTR1A (0.47) ALDH1A1NPSR1HPGDMCOLN3TBXA2R
SCHEMBL3112601 0.85 TBXA2R (0.54) ALDH1A1NPSR1HPGDMCOLN3TBXA2R
SCHEMBL2819582 0.85 KMT2A (0.45) ALDH1A1NPSR1HPGDMCOLN3TBXA2R

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 4 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-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 2416/4885NPSR1 175/4885HPGD 2678/4885

“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.