SCHEMBL6550799

SCHEMBL6550799

CCCc1c(C#N)ccc(NC(=O)Nc2ccccc2Br)c1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.68
CXCR1 P25024 10/20 0.68
ADRB3 P13945 1/20 0.54
TSPO P30536 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6550018 0.92 CXCR2 (0.64) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL27608153 0.86 CXCR2 (0.68) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817256 0.85 CXCR2 (0.49) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817254 0.85 CXCR2 (0.49) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6550790 0.85 CXCR2 (0.67) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6550053 0.81 CXCR2 (1.00) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6550011 0.80 CXCR2 (0.63) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6730340 0.80 CXCR2 (0.65) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL13951815 0.79 CXCR2 (0.76) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL7553831 0.79 CXCR2 (1.00) CXCR2CXCR1ADRB3TSPOSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20040110954-A1 Methods of synthesizing phenol-contining compounds COMT, BPHL, PNMT CXCR2 2343/4885CXCR1 3658/4885ADRB3 1116/4885

“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.