SCHEMBL6550033

SCHEMBL6550033

CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.57
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
CA12 O43570 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
F2 P00734 2/20 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
SCHEMBL6562250 0.84 VCAM1 (0.45) VCAM1CA1CA2MMP1MMP2
SCHEMBL6564110 0.84 VCAM1 (0.43) VCAM1CA1CA2MMP1MMP2
SCHEMBL6564278 0.84 VCAM1 (0.60) VCAM1CA1CA2MMP1MMP2
SCHEMBL6564230 0.82 VCAM1 (0.48) VCAM1CA1CA2MMP1MMP2
SCHEMBL6550610 0.81 VCAM1 (0.54) VCAM1CA1CA2MMP1MMP2
SCHEMBL6565908 0.80 MEN1 (0.46) VCAM1CA1CA2MMP1MMP2
SCHEMBL4607518 0.80 VCAM1 (0.54) VCAM1CA1CA2MMP1MMP2
SCHEMBL6564077 0.79 CA1 (0.42) VCAM1CA1CA2MMP1MMP2
SCHEMBL6565613 0.79 ALDH1A1 (0.45) VCAM1CA1CA2MMP1MMP2
SCHEMBL6563367 0.79 ALDH1A1 (0.49) VCAM1CA1CA2MMP1MMP2

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
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-1161232-B1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-03-24 EP disclosed
EP-1383488-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
US-20030109527-A1 Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-06-12 US disclosed
US-6500863-B1 INTERLEUKIN BINDING INHIBITORS SUCH AS N-(2-HYDROXYL-3-AMINO SULFONYL-4-CHLOROPHENYL)-N'-(2-BROMOPHENYL)UREA, USED FOR PROPHYLAXIS OF CHEMOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2002-12-31 US disclosed
WO-2002079122-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
EP-1161232-A4 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-18 EP disclosed
EP-1161232-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2001-12-12 EP disclosed
WO-2000035442-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-22 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 (2 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 VCAM1 3903/4885CA1 538/4885CA2 928/4885
US-20030109527-A1 Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists CXCL8, CCR8, IL18 VCAM1 702/4885CA1 4428/4885CA2 4080/4885

“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.