SCHEMBL2820338

SCHEMBL2820338

O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c(S(=O)(=O)N2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.54
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 0.92 KMT2A (0.48) TBXA2RKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2821573 0.91 KMT2A (0.47) TBXA2RKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2820982 0.88 KMT2A (0.49) TBXA2RKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2823434 0.88 HTR1A (0.47) TBXA2RKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2821007 0.88 ALDH1A1 (0.49) TBXA2RKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2819885 0.88 TBXA2R (0.55) TBXA2RKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL3112601 0.88 TBXA2R (0.54) TBXA2RKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2822115 0.87 HTR1A (0.46) TBXA2RKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2824268 0.86 KMT2A (0.46) TBXA2RKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2820270 0.86 KMT2A (0.43) TBXA2RKMT2AALDH1A1SMN1; SMN2MEN1

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 TBXA2R 1120/4885KMT2A 2753/4885ALDH1A1 2416/4885

“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.