SCHEMBL694367

SCHEMBL694367

Cc1ccc(C)c(Sc2ccc(C#N)cc2[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.48
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
AR P10275 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KAT2B Q92831 1/20 0.38

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
SCHEMBL4255731 0.84 MAPT (0.60) VCAM1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL323126 0.78 VCAM1 (0.64) VCAM1CYP3A4TSHRMAPTALDH1A1
SCHEMBL6519015 0.77 VCAM1 (0.62) VCAM1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL694183 0.76 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3CYP3A4AR
SCHEMBL2018745 0.75 PDE7A (0.62) VCAM1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL694462 0.74 AR (0.46) ARMAPTALDH1A1LMNAMEN1
SCHEMBL13113141 0.74 AR (0.43) ARMAPTALDH1A1LMNAMEN1
SCHEMBL693418 0.74 MEN1 (0.53) VCAM1CYP3A4TSHRARMAPT
SCHEMBL694430 0.74 VCAM1 (0.62) VCAM1TXNRD1TXNRD3TXNRD2TSHR
SCHEMBL695747 0.73 VCAM1 (0.57) VCAM1TXNRD1TXNRD3TXNRD2TDP1

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-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
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 VCAM1 1591/4885SLC6A2 2007/4885SLC6A4 1424/4885
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 VCAM1 1591/4885SLC6A2 2007/4885SLC6A4 1424/4885

“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.