SCHEMBL1338744

SCHEMBL1338744

O=C(Nc1ccc(S(=O)(=O)Cl)c2ccccc12)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
CCR8 P51685 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
HTT P42858 1/20 0.41
NOD2 Q9HC29 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL1337152 0.89 KDM4E (0.41) TP53CCR8SMN1; SMN2MEN1KMT2A
SCHEMBL1338897 0.86 CCR8 (0.53) TP53CCR8MEN1KMT2AHTT
SCHEMBL1338666 0.80 CCR8 (0.68) TP53CCR8POLBNPC1RAB9A
SCHEMBL1855816 0.77 KMT2A (0.57) CCR8MEN1KMT2ACA1CA2
SCHEMBL29469801 0.77 KMT2A (0.57) CCR8MEN1KMT2ACA1CA2
SCHEMBL1338726 0.77 CYP1A2 (0.56) CCR8KMT2APOLBJAK2TYK2
SCHEMBL1339455 0.76 NPC1 (0.60) TP53CCR8POLBNPC1RAB9A
SCHEMBL1339206 0.76 CCR8 (0.74) CCR8HTT
SCHEMBL1338922 0.76 CCR8 (0.57) CCR8
SCHEMBL1339130 0.75 LMNA (0.48) TP53CCR8SMN1; SMN2MEN1KMT2A

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 TP53 4047/4885CCR8 1/4885SMN1; SMN2 3991/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 TP53 4170/4885CCR8 1/4885SMN1; SMN2 3944/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 TP53 4556/4885CCR8 1/4885SMN1; SMN2 3175/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 TP53 3240/4885CCR8 1/4885SMN1; SMN2 2454/4885

“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.