SCHEMBL6562243

SCHEMBL6562243

C=CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 9/20 0.41
HCAR3 P49019 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6562316 0.83 VCAM1 (0.41) VCAM1HCAR3PDK1PDK2PDK3
SCHEMBL6562309 0.81 ALDH1A1 (0.43) VCAM1CA1CA2MMP1MMP2
SCHEMBL6550610 0.81 VCAM1 (0.54) VCAM1CA1CA2MMP1MMP2
SCHEMBL6563444 0.81 VCAM1 (0.59) VCAM1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL6549653 0.76 VCAM1 (0.49) VCAM1CA1CA2MMP1MMP2
SCHEMBL15336552 0.74 VCAM1 (0.68) VCAM1CA1CA2THRBALDH1A1
SCHEMBL2450842 0.69 TDP1 (0.58) VCAM1KMT2AATMALDH1A1MAPK1
SCHEMBL6564278 0.69 VCAM1 (0.60) VCAM1CA1CA2MMP1MMP2
SCHEMBL6563428 0.68 VCAM1 (0.63) VCAM1CA1CA2MMP1MMP2
SCHEMBL6562097 0.67 PDK1 (0.37) PDK1PDK2PDK3PDK4CA1

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
EP-1161232-B1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-03-24 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
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 (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-20030109527-A1 Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists CXCL8, CCR8, IL18 VCAM1 702/4885HCAR3 41/4885PDK1 2727/4885

“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.