SCHEMBL2771302

SCHEMBL2771302

CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2c(Cl)ccc3nc(C(C)(C)C)oc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.43
▸ EPHX2 P34913 2/20 0.41
▸ BRD4 O60885 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ SUV39H2 Q9H5I1 4/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL2768835 0.96 BRD4 (0.45) NAMPTEPHX2BRD4NPC1KMT2A
SCHEMBL2768831 0.96 BRD4 (0.45) NAMPTEPHX2BRD4NPC1KMT2A
SCHEMBL28395381 0.86 KDM1A (0.38) NAMPTCKS1BSKP1SKP2DRD2
SCHEMBL19082737 0.86 KDM1A (0.38) NAMPTCKS1BSKP1SKP2DRD2
SCHEMBL17309434 0.86 KDM1A (0.38) NAMPTCKS1BSKP1SKP2DRD2
SCHEMBL17293383 0.82 HSD11B1 (0.42) NAMPTEPHX2NPC1KMT2ATLR9
SCHEMBL2785669 0.82 TGM2 (0.46) KMT2A
SCHEMBL17293859 0.81 HSD11B1 (0.44) NAMPTNPC1KMT2ATLR9SMN1; SMN2
SCHEMBL17293485 0.79 ALDH1A1 (0.40) KMT2ASMN1; SMN2
SCHEMBL17293646 0.79 NPC1 (0.38) NPC1KMT2ATLR9PKMSMN1; SMN2

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 11 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
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
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 (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 NAMPT 2604/4885EPHX2 1111/4885BRD4 3767/4885
US-20040048897-A1 Il-8 receptor antagonists CXCL8, CCR8, TLR8 NAMPT 2284/4885EPHX2 1585/4885BRD4 1764/4885

“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.

Send feedback