SCHEMBL356727

SCHEMBL356727

N#Cc1cccc2[nH]nc(N(S(=O)(=O)c3ccc(Cl)s3)S(=O)(=O)c3ccc(Cl)s3)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.43
CCR4 P51679 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TTK P33981 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL249221 0.80 TTK (0.41) CCR4SMN1; SMN2LMNAMAPK1TTK
SCHEMBL187085 0.67 CCR4 (0.41) CCR4
SCHEMBL356058 0.64 CCR4 (0.37) CCR4LMNAMAPK1TTK
SCHEMBL186113 0.62 MAP2K1 (1.00) MAP2K1CYP3A4
SCHEMBL14631605 0.62 MAP2K1 (0.65) MAP2K1LMNAMAPK1ALDH1A1TTK
SCHEMBL25249427 0.62 MAP2K1 (0.65) MAP2K1LMNAMAPK1ALDH1A1TTK
SCHEMBL30548021 0.62 MAP2K1 (0.65) MAP2K1LMNAMAPK1ALDH1A1TTK
SCHEMBL27697246 0.62 MAP2K1 (0.65) MAP2K1MAPK1CYP1A2
SCHEMBL29950691 0.62 MAP2K1 (0.59) MAP2K1LMNAMAPK1ALDH1A1TTK
SCHEMBL4416040 0.62 MAP2K1 (0.59) MAP2K1LMNAMAPK1ALDH1A1TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
EP-2401270-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-8507543-B2 Compounds GLAXO GROUP LIMITED (GB) 2013-08-13 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030031-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8357716-B2 Pyrazole derivatives used as CCR4 receptor antagonists GLAXO GROUP LIMITED (GB) 2013-01-22 US disclosed
US-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 US disclosed
US-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 US disclosed
US-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US 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 (3 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-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 MAP2K1 3016/4885CCR4 1/4885SMN1; SMN2 3655/4885
US-20130030031-A1 Novel Compounds CYP3A4, CYP3A43, ABCG2 MAP2K1 4755/4885CCR4 3196/4885SMN1; SMN2 3354/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 MAP2K1 4755/4885CCR4 3196/4885SMN1; SMN2 3354/4885

“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.