SCHEMBL2820085

SCHEMBL2820085

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TBXA2R P21731 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
CYP2C9 P11712 1/20 0.45
USP2 O75604 1/20 0.44
GAA P10253 1/20 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
SCHEMBL2824042 0.88 L3MBTL1 (0.49) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL2818837 0.88 MAPT (0.54) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL693142 0.88 L3MBTL1 (0.49) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL2819893 0.88 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL2820397 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL2820056 0.87 MAPK1 (0.53) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL6642261 0.87 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL6642263 0.87 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1LMNAKMT2A
Hydrochloric Acid SCHEMBL3014573 0.87 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL2823374 0.86 MEN1 (0.52) ALDH1A1HTTCYP3A4CYP2C19L3MBTL1

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 2416/4885SMN1; SMN2 2924/4885HTT 3961/4885

“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.