SCHEMBL2768554

SCHEMBL2768554

COCC1CCCN1NS(=O)(=O)c1c(Cl)ccc(NC(=S)Nc2ccccc2Br)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CXCR2 P25025 4/20 0.32
CXCR1 P25024 3/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
CHRM3 P20309 1/20 0.30
EPHX2 P34913 1/20 0.30
RORC P51449 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
SCHEMBL2768431 1.00 CASP3 (0.33) CASP3CASP7CXCR2CXCR1NPC1
SCHEMBL2768551 1.00 CASP3 (0.33) CASP3CASP7CXCR2CXCR1NPC1
SCHEMBL2769423 0.92 ALDH1A1 (0.35) CASP3CASP7NPC1MEN1KMT2A
SCHEMBL2769797 0.91 CXCR2 (0.36) CASP3CASP7CXCR2MEN1KMT2A
SCHEMBL2769795 0.91 CXCR2 (0.36) CASP3CASP7CXCR2MEN1KMT2A
SCHEMBL2770412 0.91 CXCR2 (0.36) CASP3CASP7CXCR2MEN1KMT2A
SCHEMBL6141260 0.88 CASP3 (0.35) CASP3CASP7RORC
SCHEMBL2768276 0.86 CXCR2 (0.43) CXCR2CXCR1
SCHEMBL2768897 0.86 CXCR2 (0.43) CXCR2CXCR1
SCHEMBL2768274 0.86 CXCR2 (0.43) CXCR2CXCR1

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 6 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-1272175-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-31 EP 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
EP-1272175-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-08 EP 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 (1 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 CASP3 2136/4885CASP7 722/4885CXCR2 28/4885

“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.