SCHEMBL5594928

SCHEMBL5594928

O=C(Nc1ccccc1Br)Nc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.63
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
CXCR1 P25024 1/20 0.59
CXCR2 P25025 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
RECQL P46063 1/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
NFKBIA P25963 1/20 0.50

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
SCHEMBL7489637 0.88 KMT2A (0.64) DDX3XKMT2AMEN1CXCR1CXCR2
SCHEMBL7488767 0.81 KMT2A (0.56) DDX3XKMT2AMEN1CXCR1CXCR2
SCHEMBL7494404 0.81 POLB (0.51) DDX3XKMT2AMEN1CXCR1CXCR2
SCHEMBL7491487 0.78 MEN1 (0.67) DDX3XKMT2AMEN1CXCR1CXCR2
SCHEMBL11863940 0.78 DDX3X (1.00) DDX3XKMT2AMEN1CYP3A4CYP2C9
SCHEMBL5467045 0.76 DDX3X (0.69) DDX3XKMT2AMEN1CYP3A4CYP2C9
SCHEMBL7557478 0.76 CXCR2 (0.53) KMT2AMEN1CXCR1CXCR2CA1
SCHEMBL12768396 0.76 KMT2A (0.65) DDX3XKMT2AMEN1CYP3A4CYP2C9
SCHEMBL5467385 0.75 DDX3X (0.71) DDX3XKMT2AMEN1CA1CA2
SCHEMBL5460836 0.75 DDX3X (0.71) DDX3XKMT2AMEN1CYP3A4CYP2C9

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-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 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 DDX3X 3894/4885KMT2A 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.