SCHEMBL2821983

SCHEMBL2821983

Cc1cc(C)cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
TBXA2R P21731 5/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
EPHX2 P34913 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CYP2C9 P11712 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
SCHEMBL2819926 0.99 TBXA2R (0.50) L3MBTL1TBXA2RLMNAALDH1A1SMN1; SMN2
SCHEMBL2820262 0.92 L3MBTL1 (0.52) L3MBTL1TBXA2RLMNAALDH1A1SMN1; SMN2
SCHEMBL693089 0.86 L3MBTL1 (0.52) L3MBTL1TBXA2RLMNAALDH1A1SMN1; SMN2
SCHEMBL2820085 0.86 ALDH1A1 (0.56) L3MBTL1TBXA2RLMNAALDH1A1SMN1; SMN2
SCHEMBL2820423 0.83 LMNA (0.52) L3MBTL1TBXA2RLMNAALDH1A1SMN1; SMN2
SCHEMBL2818837 0.83 MAPT (0.54) L3MBTL1TBXA2RLMNAALDH1A1SMN1; SMN2
SCHEMBL693142 0.83 L3MBTL1 (0.49) L3MBTL1TBXA2RLMNAALDH1A1SMN1; SMN2
SCHEMBL2824042 0.83 L3MBTL1 (0.49) L3MBTL1TBXA2RLMNAALDH1A1SMN1; SMN2
SCHEMBL2819893 0.83 L3MBTL1 (0.51) L3MBTL1TBXA2RLMNAALDH1A1SMN1; SMN2
SCHEMBL6642263 0.82 L3MBTL1 (0.48) L3MBTL1TBXA2RLMNAALDH1A1SMN1; 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 L3MBTL1 4577/4885TBXA2R 1120/4885LMNA 4588/4885

“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.