SCHEMBL5594883

SCHEMBL5594883

O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2)c(O)c1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.80
MAPT P10636 4/20 0.80
GAA P10253 2/20 0.80
HPGD P15428 2/20 0.80
CXCR1 P25024 4/20 0.73
CXCR2 P25025 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.65
KCNMA1 Q12791 1/20 0.58
TDP1 Q9NUW8 2/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL6823710 1.00 ALDH1A1 (0.80) ALDH1A1MAPTGAAHPGDCXCR1
SCHEMBL7485596 0.95 CXCR2 (0.83) ALDH1A1MAPTGAAHPGDCXCR1
SCHEMBL11674249 0.89 MAPT (1.00) ALDH1A1MAPTGAAHPGDCXCR1
SCHEMBL28432107 0.86 ALDH1A1 (0.60) ALDH1A1MAPTGAAHPGDCXCR1
SCHEMBL31222305 0.84 CXCR2 (1.00) ALDH1A1MAPTGAAHPGDCXCR1
SCHEMBL5595180 0.84 CXCR2 (1.00) ALDH1A1MAPTGAAHPGDCXCR1
SCHEMBL3708178 0.84 CXCR2 (0.79) ALDH1A1MAPTGAAHPGDCXCR1
SCHEMBL5078630 0.82 ALDH1A1 (0.79) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL28433444 0.82 RAB9A (0.72) ALDH1A1MAPTGAAHPGDCXCR1
SCHEMBL25250303 0.81 ALDH1A1 (0.60) ALDH1A1MAPTGAAHPGDCXCR1

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 17 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
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US 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 ALDH1A1 2239/4885MAPT 698/4885GAA 4182/4885

“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.