SCHEMBL4355520

SCHEMBL4355520

NC(=O)c1ccc(S(=O)(=O)NC2CCNCC2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 15/20 0.61
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
KDM4E B2RXH2 1/20 0.43
WNT3 P56703 1/20 0.42
SFRP1 Q8N474 1/20 0.42
NSD2 O96028 1/20 0.42

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
SCHEMBL4344607 0.89 CCR8 (0.66) CCR8GAAHTTNPSR1KDM4E
SCHEMBL4343028 0.87 GAA (0.64) CCR8GAAHTTNPSR1KDM4E
SCHEMBL1338835 0.83 CCR8 (0.66) CCR8GAAHTTNPSR1
SCHEMBL1338587 0.82 CCR8 (0.65) CCR8GAAHTTNPSR1KDM4E
SCHEMBL4355524 0.82 CCR8 (0.60) CCR8GAAHTTNPSR1KDM4E
SCHEMBL4340162 0.81 CCR8 (0.60) CCR8GAAHTTNPSR1AURKA
SCHEMBL1337254 0.81 CCR8 (0.57) CCR8GAAHTTNPSR1
SCHEMBL1339014 0.80 CCR8 (0.64) CCR8
SCHEMBL1339626 0.80 CCR8 (0.69) CCR8
SCHEMBL6226249 0.80 CCR8 (0.59) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1590327-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-02 EP disclosed
EP-1581511-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 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
WO-2004058709-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed
WO-2004058736-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 (3 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 1/4885GAA 3422/4885HTT 4356/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 CCR8 1/4885GAA 3129/4885HTT 4604/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 CCR8 1/4885GAA 1383/4885HTT 4695/4885

“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.