SCHEMBL2821380

SCHEMBL2821380

NCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.44
PDE7A Q13946 5/20 0.42
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
MAPT P10636 4/20 0.40
PKM P14618 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7B Q9NP56 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL2819990 0.83 SMN1; SMN2 (0.53) TBXA2RMEN1KMT2AMAPTPKM
SCHEMBL2821621 0.79 KMT2A (0.47) TBXA2RPDE7AMEN1KMT2AMAPT
SCHEMBL2821696 0.79 TBXA2R (0.39) TBXA2RPDE7AMEN1KMT2AMAPT
SCHEMBL29451278 0.78 MEN1 (0.48) MEN1KMT2AMAPTPKMHTT
SCHEMBL2818875 0.78 TBXA2R (0.51) TBXA2R
SCHEMBL2819259 0.76 HRH3 (0.41) TBXA2RMEN1KMT2AMAPTLMNA
SCHEMBL2822158 0.74 ALDH1A1 (0.53) PDE7AMEN1KMT2AMAPTHTT
SCHEMBL19720324 0.73 ALDH1A1 (0.46) TBXA2RPDE7AMEN1KMT2AMAPT
SCHEMBL2819175 0.72 PDE7A (0.41) TBXA2RPDE7AMEN1KMT2AMAPT
SCHEMBL13413663 0.72 ALDH1A1 (0.40) TBXA2RPDE7AMEN1KMT2AMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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-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 1120/4885PDE7A 1640/4885MEN1 4873/4885

“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.