SCHEMBL1339732

SCHEMBL1339732

O=C(Nc1ccc(S(=O)(=O)Cl)c2ccccc12)c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.51
FLT4 P35916 2/20 0.51
KDR P35968 2/20 0.51
TP53 P04637 1/20 0.50
GPR27 Q9NS67 4/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 3/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
AVPR2 P30518 2/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL1338726 0.87 CYP1A2 (0.56) ALDH1A1RAB9AKDM4EMAPTKMT2A
SCHEMBL12748826 0.81 RAB9A (0.61) TP53GPR27ALDH1A1RAB9ANPC1
SCHEMBL1338922 0.78 CCR8 (0.57)
SCHEMBL1338897 0.78 CCR8 (0.53) TP53ALDH1A1RAB9ANPC1KDM4E
SCHEMBL21828993 0.78 GRIK1 (0.64) TP53ALDH1A1RAB9ANPC1KDM4E
SCHEMBL1338666 0.77 CCR8 (0.68) TP53RAB9ANPC1HDAC1CYP2C19
SCHEMBL9901505 0.75 CYP2C19 (0.72) TP53GPR27ALDH1A1RAB9ANPC1
SCHEMBL1339343 0.75 RAB9A (0.57) TP53ALDH1A1RAB9ANPC1KDM4E
SCHEMBL1339130 0.75 LMNA (0.48) TP53ALDH1A1KDM4EMAPTMEN1
SCHEMBL1337344 0.74 CCR8 (0.56) TP53KDM4EMAPTMEN1KMT2A

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 FLT1 2022/4885FLT4 2397/4885KDR 2393/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 FLT1 2174/4885FLT4 2585/4885KDR 2509/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 FLT1 4103/4885FLT4 4650/4885KDR 4800/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 FLT1 3408/4885FLT4 4623/4885KDR 4420/4885

“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.