SCHEMBL4349196

SCHEMBL4349196

CC(=O)c1ccc(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
BRD4 O60885 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTRB1 P17538 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PBRM1 Q86U86 1/20 0.41
MEN1 O00255 1/20 0.41
NSD2 O96028 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
COMT P21964 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 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
SCHEMBL5243345 0.89 TTR (0.55) TTRCYP1A2KDM4EALDH1A1HPGD
SCHEMBL13209920 0.85 BCAT2 (0.44) KDM4EALDH1A1HPGDBRD4L3MBTL1
SCHEMBL313853 0.84 TTR (0.44) TTRCYP1A2ALDH1A1CTRB1COMT
SCHEMBL7190686 0.83 CYP2D6 (0.50) TTRCYP1A2KDM4EALDH1A1HPGD
SCHEMBL29472291 0.83 CYP2D6 (0.50) TTRCYP1A2KDM4EALDH1A1HPGD
SCHEMBL29409575 0.82 TTR (0.61) TTRCYP1A2ALDH1A1HPGDCTRB1
SCHEMBL703189 0.82 TTR (0.61) TTRCYP1A2ALDH1A1HPGDCTRB1
SCHEMBL10391045 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDBRD4L3MBTL1
SCHEMBL38471077 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDBRD4L3MBTL1
SCHEMBL6584925 0.80 TTR (0.44) TTRCYP1A2KDM4EALDH1A1HPGD

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 TTR 4288/4885CYP1A2 1346/4885KDM4E 3720/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 TTR 4487/4885CYP1A2 1175/4885KDM4E 3818/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 TTR 3611/4885CYP1A2 659/4885KDM4E 4654/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 TTR 2894/4885CYP1A2 1220/4885KDM4E 4812/4885

“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.