SCHEMBL4353216

SCHEMBL4353216

O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CCR8 P51685 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
CD40 P25942 1/20 0.51
CD40LG P29965 1/20 0.51
ACP1 P24666 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
TIMP3 P35625 2/20 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
SCHEMBL6120265 0.92 CD40 (0.50) MAPTKDM4ECCR8CD40CD40LG
SCHEMBL4353264 0.84 ALDH1A1 (0.50) CCR8SMN1; SMN2TP53CD40CD40LG
SCHEMBL9649084 0.83 CD40 (0.46) CCR8CD40CD40LGMEN1KMT2A
SCHEMBL10902168 0.82 TTR (0.53) MAPTKDM4ESMN1; SMN2CD40CD40LG
SCHEMBL6345196 0.81 SNCA (0.61) MAPTKDM4ECCR8SMN1; SMN2TP53
SCHEMBL15263537 0.81 TP53 (0.59) MAPTKDM4ESMN1; SMN2TP53EPHX1
SCHEMBL15219449 0.80 GRIK1 (0.60) MAPTSMN1; SMN2TP53EPHX1TSHR
SCHEMBL15219645 0.80 KCNJ6 (0.55) MAPTKDM4ESMN1; SMN2TP53EPHX1
SCHEMBL1338412 0.80 CCR8 (0.70) CCR8TP53CD40CD40LGNPC1
SCHEMBL1857055 0.80 KMT2A (0.59) MAPTKDM4ECCR8SMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4805/4885KDM4E 3720/4885CCR8 1/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 MAPT 4835/4885KDM4E 3818/4885CCR8 1/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 MAPT 3918/4885KDM4E 4654/4885CCR8 1/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 MAPT 2036/4885KDM4E 4812/4885CCR8 1/4885

“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.