SCHEMBL6550053

SCHEMBL6550053

N#Cc1ccc(NC(=O)Nc2ccccc2Br)c(O)c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 1.00
CXCR1 P25024 11/20 1.00
ADRB3 P13945 1/20 0.62
TSPO P30536 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HTT P42858 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL7553831 0.86 CXCR2 (1.00) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL13951815 0.86 CXCR2 (0.76) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL3710377 0.86 CXCR2 (0.75) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6823256 0.86 CXCR2 (0.75) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL7553940 0.85 CXCR2 (0.74) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL7552152 0.83 CXCR2 (0.71) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817502 0.83 CXCR2 (0.70) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817506 0.83 CXCR2 (0.70) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6548955 0.82 CXCR2 (0.70) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL7556139 0.82 CXCR2 (0.69) CXCR2CXCR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005803-A1 USE OF COMPOUNDS IN THE TREATMENT OR PREVENTION OF SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-03 US claimed
CN-1529591-A Method for synthesizing phenol-containing compounds ʷ��˿�������ȳ�ķ���޹�˾ 2004-09-15 CN claimed
US-20040110954-A1 Methods of synthesizing phenol-contining compounds SMITHKLINE BEECHAM CORPORATION 2004-06-10 US claimed
EP-1383488-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-28 EP claimed
WO-2002079122-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed
CN-1529591-A Method for synthesizing phenol-containing compounds ʷ��˿�������ȳ�ķ���޹�˾ 2004-09-15 CN disclosed
US-20040110954-A1 Methods of synthesizing phenol-contining compounds SMITHKLINE BEECHAM CORPORATION 2004-06-10 US disclosed
EP-1383488-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
WO-2002079122-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US 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-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US 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 (3 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-20130005803-A1 USE OF COMPOUNDS IN THE TREATMENT OR PREVENTION OF SKIN DISORDERS CUTA, SUCLG1, KRT18 CXCR2 3702/4885CXCR1 3584/4885ADRB3 1461/4885
US-20040110954-A1 Methods of synthesizing phenol-contining compounds COMT, BPHL, PNMT CXCR2 2343/4885CXCR1 3658/4885ADRB3 1116/4885
US-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN CXCR2 15/4885CXCR1 21/4885ADRB3 806/4885

“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.