SCHEMBL2820397

SCHEMBL2820397

Cc1cc(C)cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(CCO)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TBXA2R P21731 10/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2821219 0.92 ALDH1A1 (0.50) ALDH1A1L3MBTL1TBXA2RHTTSMN1; SMN2
SCHEMBL2818837 0.89 MAPT (0.54) ALDH1A1L3MBTL1TBXA2RHTTSMN1; SMN2
SCHEMBL2820085 0.88 ALDH1A1 (0.56) ALDH1A1L3MBTL1TBXA2RHTTSMN1; SMN2
SCHEMBL2819536 0.88 L3MBTL1 (0.44) ALDH1A1L3MBTL1TBXA2RHTTSMN1; SMN2
SCHEMBL2818868 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1CYP3A4CYP2C19LMNA
SCHEMBL6642263 0.84 L3MBTL1 (0.48) ALDH1A1L3MBTL1TBXA2RSMN1; SMN2LMNA
SCHEMBL6642261 0.84 L3MBTL1 (0.48) ALDH1A1L3MBTL1TBXA2RSMN1; SMN2LMNA
SCHEMBL2824042 0.83 L3MBTL1 (0.49) ALDH1A1L3MBTL1TBXA2RHTTSMN1; SMN2
SCHEMBL693142 0.83 L3MBTL1 (0.49) ALDH1A1L3MBTL1TBXA2RHTTSMN1; SMN2
SCHEMBL2819893 0.83 L3MBTL1 (0.51) ALDH1A1L3MBTL1TBXA2RHTTSMN1; SMN2

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 ALDH1A1 2416/4885L3MBTL1 4577/4885TBXA2R 1120/4885

“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.