SCHEMBL5595166

SCHEMBL5595166

O=C(Nc1ccccc1Br)Nc1ccccc1NS(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HTT P42858 3/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
GRIK1 P39086 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
ALDH1A1 P00352 3/20 0.49
IDH1 O75874 1/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CA12 O43570 3/20 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
SCHEMBL7491512 0.82 MCL1 (0.44) MCL1KMT2AMEN1HTTNPC1
SCHEMBL5594952 0.80 MEN1 (0.60) KMT2AMEN1HTTNPC1LMNA
SCHEMBL27576135 0.77 MCL1 (0.46) MCL1KMT2AMEN1CA1CA2
SCHEMBL7552463 0.76 MEN1 (0.49) MCL1KMT2AMEN1HTTNPC1
SCHEMBL5594799 0.76 GAA (0.63) KMT2AMEN1MMP2ALDH1A1GAA
SCHEMBL7552185 0.75 ACLY (0.53) KMT2AMEN1HTTNPC1LMNA
SCHEMBL5594974 0.75 KMT2A (0.61) KMT2AMEN1HTTNPC1LMNA
SCHEMBL14397868 0.75 ALDH1A1 (0.61) KMT2AMEN1LMNACA1CA2
SCHEMBL5595427 0.74 CA12 (0.52) KMT2AMEN1HTTNPC1LMNA
SCHEMBL13235126 0.74 HTT (0.81) KMT2AMEN1HTTNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP 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-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US 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
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-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 MCL1 1156/4885KMT2A 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.