SCHEMBL699564

SCHEMBL699564

Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCN(C)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 4/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
LMNA P02545 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
CYP2C9 P11712 1/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 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
SCHEMBL698304 0.96 L3MBTL1 (0.56) L3MBTL1ALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL693736 0.85 L3MBTL1 (0.53) L3MBTL1ALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL698175 0.85 L3MBTL1 (0.53) L3MBTL1ALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL3110561 0.85 L3MBTL1 (0.55) L3MBTL1ALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL693835 0.85 ALDH1A1 (0.55) L3MBTL1ALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL694717 0.85 L3MBTL1 (0.55) L3MBTL1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL29451825 0.84 L3MBTL1 (0.81) L3MBTL1ALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL693089 0.84 L3MBTL1 (0.52) L3MBTL1ALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL29452168 0.83 ALDH1A1 (0.61) L3MBTL1ALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL694001 0.83 L3MBTL1 (0.55) L3MBTL1ALDH1A1HTTSMN1; SMN2CYP1A2

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 L3MBTL1 2003/4885ALDH1A1 1818/4885HTT 3242/4885
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 L3MBTL1 2003/4885ALDH1A1 1818/4885HTT 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.