SCHEMBL5595051

SCHEMBL5595051

O=C(O)CNC(=O)c1cccc(NC(=O)Nc2ccccc2Br)c1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
CXCR1 P25024 8/20 0.51
CXCR2 P25025 8/20 0.51
GRIK1 P39086 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA5 P08648 1/20 0.46
KEAP1 Q14145 1/20 0.45
CASR P41180 1/20 0.44
PYGL P06737 1/20 0.44

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
SCHEMBL3715237 0.84 KMT2A (0.68) HTTKMT2AMEN1NPC1LMNA
SCHEMBL5594974 0.83 KMT2A (0.61) HTTKMT2AMEN1NPC1LMNA
SCHEMBL8681932 0.78 HTT (0.55) HTTKMT2AMEN1NPC1LMNA
SCHEMBL6427726 0.78 NLRP3 (0.58) HTTKMT2AMEN1NPC1LMNA
SCHEMBL5594605 0.75 CXCR2 (0.54) HTTKMT2AMEN1NPC1LMNA
SCHEMBL13235126 0.74 HTT (0.81) HTTKMT2AMEN1NPC1LMNA
SCHEMBL5594932 0.74 KMT2A (0.61) HTTKMT2AMEN1NPC1LMNA
SCHEMBL8681940 0.74 CXCR1 (0.53) HTTKMT2AMEN1NPC1LMNA
SCHEMBL27556176 0.74 CXCR1 (0.56) HTTKMT2AMEN1NPC1LMNA
SCHEMBL6822942 0.73 CXCR2 (0.73) HTTKMT2AMEN1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US claimed
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN HTT 3161/4885KMT2A 3978/4885MEN1 4754/4885

“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.