SCHEMBL6565613

SCHEMBL6565613

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
VCAM1 P19320 5/20 0.42
THRB P10828 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MAPT P10636 2/20 0.39
TXNRD1 Q16881 1/20 0.39
G6PD P11413 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL6562309 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDNPC1GAA
SCHEMBL6564278 0.83 VCAM1 (0.60) ALDH1A1VCAM1THRBCA1CA2
SCHEMBL6563731 0.83 CXCR2 (0.53) ALDH1A1KDM4EHPGDNPC1GAA
SCHEMBL6564230 0.81 VCAM1 (0.48) ALDH1A1VCAM1THRBCA1CA2
SCHEMBL6563384 0.80 GAA (0.46) ALDH1A1KDM4EHPGDNPC1GAA
SCHEMBL27571698 0.79 ALDH1A1 (0.43) ALDH1A1HPGDVCAM1CA1CA2
SCHEMBL6550033 0.79 VCAM1 (0.57) VCAM1CA1CA2MMP1MMP2
SCHEMBL6565841 0.79 VCAM1 (0.43) ALDH1A1KDM4ENPC1GAASMN1; SMN2
SCHEMBL6563367 0.78 ALDH1A1 (0.49) ALDH1A1GAAVCAM1CA1CA2
SCHEMBL6564043 0.78 CXCR2 (0.41) ALDH1A1VCAM1THRBCA1CA2

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 ALDH1A1 1321/4885KDM4E 4081/4885HPGD 630/4885

“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.