SCHEMBL2769019

SCHEMBL2769019

COC[C@@H]1CCCN1NS(=O)(=O)c1c(Cl)ccc(N)c1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
VEGFA P15692 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
CASP3 P42574 5/20 0.34
CASP7 P55210 4/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
FFAR2 O15552 1/20 0.33
CXCR2 P25025 2/20 0.33
CASP9 P55211 1/20 0.32

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
SCHEMBL2767458 1.00 HDAC8 (0.37) HDAC8HDAC6HDAC1VEGFAEGLN1
SCHEMBL6138091 1.00 HDAC8 (0.37) HDAC8HDAC6HDAC1VEGFAEGLN1
SCHEMBL6137742 0.84 VCAM1 (0.36) HDAC8HDAC6HDAC1CASP3CASP7
SCHEMBL2768514 0.84 VCAM1 (0.36) HDAC8HDAC6HDAC1CASP3CASP7
SCHEMBL2768872 0.84 VCAM1 (0.36) HDAC8HDAC6HDAC1CASP3CASP7
SCHEMBL6563959 0.82 CASP3 (0.45) KCNH2CASP3CASP7CASP9
SCHEMBL6141269 0.80 VEGFA (0.35) HDAC8HDAC6HDAC1VEGFAEGLN1
SCHEMBL2768886 0.79 ALDH1A1 (0.41) VEGFAEGLN1CXCR2
SCHEMBL2769385 0.78 CXCR2 (0.48) CXCR2
SCHEMBL2768498 0.78 CXCR2 (0.48) CXCR2

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 10 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
EP-1261329-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-17 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
US-20030050298-A1 Il-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-03-13 US disclosed
EP-1272175-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-08 EP disclosed
EP-1261329-A2 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-04 EP disclosed
WO-2001072960-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 WO disclosed
WO-2001068033-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 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 (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-20030216375-A1 Il-8 receptor anatagonists CXCL8, CCR8, IL1R1 HDAC8 399/4885HDAC6 2834/4885HDAC1 2482/4885
US-20030050298-A1 Il-8 receptor antagonists CXCL8, CCR8, IL1RN HDAC8 304/4885HDAC6 1747/4885HDAC1 1937/4885

“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.