SCHEMBL6562314

SCHEMBL6562314

O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC2CC2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.45
NPY1R P25929 3/20 0.45
DRD2 P14416 1/20 0.45
ADRA2C P18825 1/20 0.45
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
VCAM1 P19320 3/20 0.40
GBA1 P04062 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
KMT2A Q03164 3/20 0.40
THRB P10828 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6563383 0.87 NPY5R (0.44) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL6564099 0.83 KMT2A (0.54) KMT2AMEN1ALDH1A1LMNA
SCHEMBL6562337 0.83 KMT2A (0.54) KMT2AMEN1ALDH1A1LMNA
SCHEMBL6564102 0.83 KMT2A (0.54) KMT2AMEN1ALDH1A1LMNA
SCHEMBL6565706 0.82 TGFBR1 (0.51)
SCHEMBL6564278 0.82 VCAM1 (0.60) VCAM1CA1CA2MMP1MMP2
SCHEMBL6565908 0.81 MEN1 (0.46) TP53ALOX15VCAM1CA1CA2
SCHEMBL6563456 0.80 VCAM1 (0.64) VCAM1KMT2AMEN1ALDH1A1LMNA
SCHEMBL6564187 0.80 KMT2A (0.52) DRD2KMT2AMEN1CYP2C9LMNA
SCHEMBL6564230 0.80 VCAM1 (0.48) 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 7 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
CN-1334726-A Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-02-06 CN 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 NPY5R 2334/4885NPY1R 1882/4885DRD2 3115/4885

“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.