SCHEMBL2768835

SCHEMBL2768835

CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2c(Cl)ccc3nc(C(C)(C)C)oc23)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.45
▸ NAMPT P43490 1/20 0.40
▸ KDM4D Q6B0I6 1/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ SUV39H2 Q9H5I1 7/20 0.38
▸ CTSK P43235 2/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37

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
SCHEMBL2768831 1.00 BRD4 (0.45) BRD4NAMPTKDM4DMAP4K4JAK3
SCHEMBL2771302 0.96 NAMPT (0.43) BRD4NAMPTKDM4DMAP4K4NPC1
SCHEMBL19082737 0.82 KDM1A (0.38) NAMPTMAP4K4JAK3JAK2JAK1
SCHEMBL17309434 0.82 KDM1A (0.38) NAMPTMAP4K4JAK3JAK2JAK1
SCHEMBL28395381 0.82 KDM1A (0.38) NAMPTMAP4K4JAK3JAK2JAK1
SCHEMBL17293647 0.80 NPC1 (0.38) NPC1KMT2ATLR9
SCHEMBL17293646 0.80 NPC1 (0.38) NPC1KMT2ATLR9
SCHEMBL17293383 0.80 HSD11B1 (0.42) NAMPTNPC1KMT2ATLR9EPHX2
SCHEMBL2785669 0.80 TGM2 (0.46) KMT2A
SCHEMBL17293859 0.79 HSD11B1 (0.44) NAMPTNPC1KMT2ATLR9

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 7 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-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
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 (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 BRD4 3767/4885NAMPT 2604/4885KDM4D 4750/4885
US-20040048897-A1 Il-8 receptor antagonists CXCL8, CCR8, TLR8 BRD4 1764/4885NAMPT 2284/4885KDM4D 3813/4885

“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.

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