SCHEMBL5711808

SCHEMBL5711808

Nc1ccc(Cl)c(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c1O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.59
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 4/20 0.51
GAA P10253 2/20 0.51
EBP Q15125 1/20 0.51
DHCR7 Q9UBM7 1/20 0.51
LRRK2 Q5S007 1/20 0.49
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCR1 P32246 1/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MBTD1 Q05BQ5 2/20 0.45
L3MBTL3 Q96JM7 2/20 0.45
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL17293683 0.87 TSHR (0.46) CXCR2ALDH1A1KDM4ECYP2C19L3MBTL1
SCHEMBL13205457 0.85 ALDH1A1 (0.45) CXCR2ALDH1A1KDM4EL3MBTL1ATM
SCHEMBL9977970 0.84 LMNA (0.51) CXCR2ALDH1A1CCR1NPC1MEN1
SCHEMBL17293491 0.84 LRRK2 (0.44) CXCR2ALDH1A1KDM4EGAALRRK2
SCHEMBL17293655 0.84 LRRK2 (0.44) CXCR2ALDH1A1KDM4EGAALRRK2
SCHEMBL17293489 0.84 LRRK2 (0.44) CXCR2ALDH1A1KDM4EGAALRRK2
SCHEMBL2768040 0.83 ATM (0.43) CXCR2ALDH1A1GAACCR1NPC1
SCHEMBL17293877 0.83 ATM (0.43) CXCR2ALDH1A1KDM4EGAACYP2D6
SCHEMBL6562315 0.82 CXCR2 (0.45) CXCR2ALDH1A1KDM4EL3MBTL1ATM
SCHEMBL19065947 0.81 CXCR2 (0.44) CXCR2ALDH1A1LRRK2MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040048897-A1 Il-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-03-11 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 (2 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-20040048897-A1 Il-8 receptor antagonists CXCL8, CCR8, TLR8 CXCR2 11/4885ALDH1A1 2319/4885KDM4E 4263/4885
US-20060084641-A1 IL-8 receptor antagonists CXCL8, CCR8, TLR8 CXCR2 11/4885ALDH1A1 2319/4885KDM4E 4263/4885

“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.