SCHEMBL1339728

SCHEMBL1339728

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(C#N)c3c2CCCC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.52
BRD4 O60885 2/20 0.49
SFRP1 Q8N474 3/20 0.45
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 2/20 0.44
EPHX1 P07099 1/20 0.44
STS P08842 3/20 0.44
GPR119 Q8TDV5 3/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR1H2 P55055 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL1338768 0.87 CCR8 (0.53) CCR8BRD4SFRP1EPHX2ALDH1A1
SCHEMBL1339331 0.86 CCR8 (0.55) CCR8BRD4SFRP1EPHX2ALDH1A1
SCHEMBL1340628 0.85 CCR8 (0.66) CCR8BRD4SFRP1
SCHEMBL1339749 0.85 CCR8 (0.52) CCR8BRD4SFRP1EPHX2ALDH1A1
SCHEMBL4733309 0.84 NR1H2 (0.58) CCR8BRD4SFRP1ALDH1A1STS
SCHEMBL1339708 0.82 CCR8 (0.59) CCR8BRD4EPHX2ALDH1A1EPHX1
SCHEMBL12129522 0.79 CCR8 (0.64) CCR8
SCHEMBL1338416 0.78 CCR8 (0.47) CCR8BRD4SFRP1
SCHEMBL4734835 0.77 SFRP1 (0.56) CCR8BRD4SFRP1EPHX2STS
SCHEMBL1337706 0.77 CCR8 (0.64) CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063222-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063222-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-7491827-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
US-7491827-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
US-7378525-B2 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
US-7378525-B2 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
US-7329755-B2 especially naphthalene sulfonamides, used for treating asthma MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329755-B2 especially naphthalene sulfonamides, used for treating asthma MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
EP-1590327-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-02 EP disclosed
US-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2005-04-21 US disclosed
US-20040224978-A1 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-11-11 US disclosed
US-20040209948-A1 CCR8 Inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-10-21 US disclosed
WO-2004058709-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 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 (4 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-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 CCR8 1/4885BRD4 521/4885SFRP1 2137/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 CCR8 1/4885BRD4 576/4885SFRP1 2061/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 CCR8 1/4885BRD4 1972/4885SFRP1 2240/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 CCR8 1/4885BRD4 2698/4885SFRP1 2645/4885

“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.