SCHEMBL2770474

SCHEMBL2770474

Nc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](N)C2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
ATM Q13315 1/20 0.40
CNR1 P21554 1/20 0.39
CXCR2 P25025 5/20 0.39
ACLY P53396 2/20 0.37
CCR1 P32246 1/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CCR6 P51684 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2770476 1.00 PDK1 (0.41) PDK1PDK2PDK3PDK4ATM
SCHEMBL2768040 0.93 ATM (0.43) ATMCNR1CXCR2ACLYCCR1
SCHEMBL17293593 0.90 ATM (0.40) ATMCNR1CXCR2ACLYCCR1
SCHEMBL17293595 0.90 ATM (0.40) ATMCNR1CXCR2ACLYCCR1
SCHEMBL17293877 0.85 ATM (0.43) ATMCNR1CXCR2CCR1KMT2A
SCHEMBL17293472 0.82 CXCR2 (0.40) ATMCNR1CXCR2ACLYCCR6
SCHEMBL6562315 0.82 CXCR2 (0.45) ATMCNR1CXCR2KMT2ATDP1
SCHEMBL13205457 0.82 ALDH1A1 (0.45) ATMCXCR2KMT2ATDP1MEN1
SCHEMBL17309495 0.81 HSD11B1 (0.43) ATMCNR1CXCR2ACLYKMT2A
SCHEMBL17293683 0.80 TSHR (0.46) ATMCXCR2KMT2ATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272175-B1 N,N'-DIARYL GUANIDINES AS IL-8 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-04-21 EP disclosed
EP-1351933-B1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2006-11-22 EP disclosed
US-20060084641-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2006-04-20 US disclosed
EP-1351933-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-09-07 EP disclosed
EP-1272175-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-31 EP disclosed
US-20040048897-A1 Il-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-03-11 US disclosed
US-6680317-B2 N-(PHENYL)-N*-(2-HYDROXY-3-AMINOSULFONYLPHENYL)GUANIDINE DERIVATIVES; CHEMOKINE INHIBITORS; RESPIRATORY, CARDIOVASCULAR, RHEUMATIC, BRAIN, AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-01-20 US disclosed
US-20030216375-A1 Il-8 receptor anatagonists GLAXOSMITHKLINE LLC 2003-11-20 US disclosed
CN-1452483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-10-29 CN disclosed
EP-1351933-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2003-10-15 EP disclosed
EP-1272175-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-08 EP disclosed
WO-2002057230-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-25 WO disclosed
WO-2001072960-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 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 (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-20030216375-A1 Il-8 receptor anatagonists CXCL8, CCR8, IL1R1 PDK1 3624/4885PDK2 3735/4885PDK3 3544/4885
US-20040048897-A1 Il-8 receptor antagonists CXCL8, CCR8, TLR8 PDK1 4471/4885PDK2 4257/4885PDK3 3871/4885
US-20060084641-A1 IL-8 receptor antagonists CXCL8, CCR8, TLR8 PDK1 4471/4885PDK2 4257/4885PDK3 3871/4885

“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.