SCHEMBL1338751

SCHEMBL1338751

O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 1.00
CNR1 P21554 1/20 0.60
KMT2A Q03164 2/20 0.57
POLB P06746 2/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 3/20 0.55
TP53 P04637 1/20 0.55
RAB9A P51151 1/20 0.55
ALB P02768 1/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL1339470 0.88 CCR8 (0.78) CCR8CNR1POLBALDH1A1TP53
SCHEMBL1338924 0.87 CCR8 (0.77) CCR8KMT2AALDH1A1TP53RAB9A
SCHEMBL1339410 0.86 CCR8 (0.75) CCR8KMT2APOLBALDH1A1MEN1
SCHEMBL17531739 0.80 CCR8 (0.66) CCR8CNR1KMT2APOLBGAA
SCHEMBL16088767 0.79 CCR8 (0.65) CCR8CNR1KMT2APOLBGAA
SCHEMBL1338838 0.77 CCR8 (0.77) CCR8
SCHEMBL17538596 0.77 ALB (0.67) CCR8CNR1KMT2AGAAALDH1A1
SCHEMBL1338412 0.76 CCR8 (0.70) CCR8KMT2APOLBALDH1A1TP53
SCHEMBL16088777 0.76 POLB (0.63) CCR8CNR1KMT2APOLBGAA
SCHEMBL16127833 0.76 POLB (0.63) CCR8CNR1KMT2APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013131010-A2 FUNCTION OF CHEMOKINE RECEPTOR CCR8 IN MELANOMA METASTASIS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2013-09-06 WO claimed
EP-1581511-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP claimed
US-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2005-04-21 US claimed
US-20040224978-A1 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-11-11 US claimed
US-20040209948-A1 CCR8 Inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-10-21 US claimed
WO-2004058736-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO claimed
WO-2013131010-A2 FUNCTION OF CHEMOKINE RECEPTOR CCR8 IN MELANOMA METASTASIS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2013-09-06 WO 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-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 CCR8 1/4885CNR1 49/4885KMT2A 2668/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 CCR8 1/4885CNR1 49/4885KMT2A 2964/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 CCR8 1/4885CNR1 124/4885KMT2A 3975/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 CCR8 1/4885CNR1 122/4885KMT2A 4530/4885

“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.