SCHEMBL1339552

SCHEMBL1339552

NCc1ccc(S(=O)(=O)NC2CCCCC2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
HTT P42858 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
CCR8 P51685 3/20 0.55
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BRD4 O60885 4/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
NSD2 O96028 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
SCHEMBL1338805 0.86 HTT (0.65) GAAHTTNPSR1CCR8ALDH1A1
SCHEMBL1339702 0.85 HTT (0.64) GAAHTTNPSR1CCR8ALDH1A1
SCHEMBL8252289 0.83 ALDH1A1 (0.59) GAAHTTNPSR1CCR8ALDH1A1
Hydrochloric Acid SCHEMBL5003648 0.82 ALDH1A1 (0.57) GAAHTTNPSR1CCR8ALDH1A1
SCHEMBL1339078 0.79 BRD4 (0.60) GAAHTTNPSR1CCR8ALDH1A1
SCHEMBL6421509 0.79 HTT (0.56) GAAHTTNPSR1CCR8ALDH1A1
SCHEMBL1340237 0.79 HTT (0.70) GAAHTTNPSR1CCR8ALDH1A1
SCHEMBL1337742 0.78 CCR8 (0.67) CCR8KDM4E
SCHEMBL4343028 0.77 GAA (0.64) GAAHTTNPSR1CCR8ALDH1A1
SCHEMBL16849179 0.76 GAA (0.65) GAAHTTNPSR1CCR8ALDH1A1

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 22 patents — showing the first 20. 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-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-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-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
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
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
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
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 (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 GAA 3422/4885HTT 4356/4885NPSR1 48/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 GAA 3129/4885HTT 4604/4885NPSR1 56/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 GAA 1793/4885HTT 4885/4885NPSR1 1355/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 GAA 1383/4885HTT 4695/4885NPSR1 2313/4885

“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.