SCHEMBL3109989

SCHEMBL3109989

CC(C)NC(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Oc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.54
CNR1 P21554 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL12693480 0.90 TBXA2R (0.51) TBXA2RCNR1KMT2AMEN1GAA
SCHEMBL693145 0.90 TBXA2R (0.55) TBXA2RCYP2C19CYP2C9
SCHEMBL12693457 0.88 TBXA2R (0.47) TBXA2RCNR1KMT2AMEN1GAA
SCHEMBL12693452 0.87 ALDH1A1 (0.48) TBXA2RCNR1KMT2AMEN1GAA
SCHEMBL693212 0.85 CNR1 (0.50) TBXA2RCNR1KMT2AMEN1GAA
SCHEMBL12693491 0.85 CNR1 (0.48) TBXA2RCNR1KMT2AMEN1GAA
SCHEMBL2380187 0.84 TBXA2R (0.55) TBXA2RKMT2AMEN1ALDH1A1
SCHEMBL12693450 0.83 MAPT (0.56) CNR1KMT2AMEN1GAAALDH1A1
SCHEMBL693463 0.83 CNR1 (0.52) TBXA2RCNR1KMT2AMEN1GAA
SCHEMBL15197174 0.83 TBXA2R (0.47) TBXA2RCNR1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502921-B1 Arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS INC (US) 2015-05-20 EP disclosed
US-8658642-B2 Arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-02-25 US disclosed
US-20130217687-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-8420639-B2 Arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
EP-2502921-A1 Arylsulfonamide CCR3 antagonists Axikin Pharmaceuticals, Inc. (US) 2012-09-26 EP disclosed
EP-2502921-A1 Arylsulfonamide CCR3 antagonists Axikin Pharmaceuticals, Inc. (US) 2012-09-26 EP disclosed
US-20100273795-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
WO-2010123960-A2 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-20100273795-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 TBXA2R 2704/4885CNR1 43/4885KMT2A 2688/4885
US-20130217687-A1 ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 TBXA2R 2704/4885CNR1 43/4885KMT2A 2688/4885

“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.