SCHEMBL1339959

SCHEMBL1339959

COCNC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
CCR8 P51685 8/20 0.52
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.51
DRD4 P21917 2/20 0.48
HTT P42858 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
OPRK1 P41145 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1340082 0.85 HTT (0.55) KMT2ACCR8MEN1ALDH1A1USP2
SCHEMBL1337641 0.85 HTT (0.57) KMT2ACCR8MEN1ALDH1A1USP2
SCHEMBL1339960 0.83 KMT2A (0.53) KMT2ACCR8MEN1ALDH1A1USP2
SCHEMBL12131771 0.79 KMT2A (0.64) KMT2ACCR8MEN1ALDH1A1USP2
SCHEMBL1338785 0.77 CCR8 (0.70) CCR8
SCHEMBL13933761 0.77 CCR8 (0.60) KMT2ACCR8MEN1ALDH1A1USP2
SCHEMBL1338613 0.74 THRB (0.63) KMT2ACCR8MEN1ALDH1A1USP2
SCHEMBL12129669 0.74 KMT2A (0.56) KMT2ACCR8MEN1ALDH1A1USP2
SCHEMBL19111392 0.73 KMT2A (0.58) KMT2AMEN1ALDH1A1USP2HTT
SCHEMBL1337662 0.71 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 12 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-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
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 KMT2A 2668/4885CCR8 1/4885MEN1 4774/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 KMT2A 2964/4885CCR8 1/4885MEN1 4759/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 KMT2A 3975/4885CCR8 1/4885MEN1 4186/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 KMT2A 4530/4885CCR8 1/4885MEN1 3701/4885

“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.