SCHEMBL693478

SCHEMBL693478

CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
VCAM1 P19320 1/20 0.49
MAPT P10636 4/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.45
LMNA P02545 3/20 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
SCHEMBL693652 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL3111754 0.89 MAPT (0.52) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL3116137 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP3A4CYP2C19MEN1
SCHEMBL693154 0.87 USP2 (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL695019 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL693425 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTCYP3A4CYP2C19
SCHEMBL694883 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP3A4CYP2C19MEN1
SCHEMBL694038 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL28022447 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP3A4CYP2C19MEN1
SCHEMBL694017 0.85 FAAH (0.48) ALDH1A1SMN1; SMN2CYP3A4CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421829-B1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS INC (US) 2015-09-30 EP disclosed
EP-2727908-A2 2,5-disubstituted arylsulfonamide CCR3 antagonists Axikin Pharmaceuticals, Inc. (US) 2014-05-07 EP disclosed
EP-2727908-A2 2,5-disubstituted arylsulfonamide CCR3 antagonists Axikin Pharmaceuticals, Inc. (US) 2014-05-07 EP disclosed
US-8669247-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669247-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669247-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8399456-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399456-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399456-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
EP-2421829-A2 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS Axikin Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
WO-2010123956-A2 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 WO disclosed
WO-2010123956-A2 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 WO 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 (2 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-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 ALDH1A1 1818/4885SMN1; SMN2 837/4885HTT 3242/4885
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 ALDH1A1 1818/4885SMN1; SMN2 837/4885HTT 3242/4885

“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.