SCHEMBL2820447

SCHEMBL2820447

COc1cc(OC)cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 6/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TBXA2R P21731 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
LMNA P02545 1/20 0.45
HTR6 P50406 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL2820212 0.96 KMT2A (0.55) KMT2AKDM4EPKMTSHRL3MBTL1
SCHEMBL2823186 0.94 KMT2A (0.62) KMT2AKDM4EPKMTSHRL3MBTL1
SCHEMBL2819893 0.89 L3MBTL1 (0.51) KMT2AL3MBTL1ALDH1A1NPSR1HPGD
Hydrochloric Acid SCHEMBL3014573 0.88 L3MBTL1 (0.50) KMT2AL3MBTL1ALDH1A1NPSR1HPGD
SCHEMBL2823427 0.88 L3MBTL1 (0.53) KMT2AKDM4EPKMTSHRL3MBTL1
SCHEMBL2818842 0.87 KMT2A (0.48) KMT2AKDM4EPKMTSHRL3MBTL1
SCHEMBL2820357 0.87 ALDH1A1 (0.51) KMT2AL3MBTL1ALDH1A1NPSR1HPGD
SCHEMBL2819566 0.87 KMT2A (0.47) KMT2AKDM4EPKMTSHRL3MBTL1
SCHEMBL2821573 0.87 KMT2A (0.47) KMT2AKDM4EPKMTSHRL3MBTL1
SCHEMBL2818841 0.87 KMT2A (0.53) KMT2AKDM4EPKMTSHRL3MBTL1

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 KMT2A 2753/4885KDM4E 2956/4885PKM 4352/4885

“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.