SCHEMBL4497818

SCHEMBL4497818

N#CSc1c(N)nc(SCc2cccc(F)c2F)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.61
CHRM5 P08912 1/20 0.57
CX3CR1 P49238 1/20 0.57

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
SCHEMBL6390959 0.79 CXCR2 (0.58) CXCR2CHRM5CX3CR1
SCHEMBL489710 0.73 CXCR2 (0.67) CXCR2
SCHEMBL4225334 0.72 CXCR2 (1.00) CXCR2CHRM5CX3CR1
SCHEMBL4373934 0.70 HPGD (0.69) CXCR2
SCHEMBL842322 0.68 CXCR2 (0.70) CXCR2CHRM5CX3CR1
SCHEMBL13980530 0.67 CXCR2 (0.41) CXCR2CHRM5CX3CR1
SCHEMBL3855926 0.65 CXCR2 (0.45) CXCR2
SCHEMBL4373932 0.65 CXCR2 (0.54) CXCR2CHRM5CX3CR1
SCHEMBL3852995 0.65 CXCR2 (0.49) CXCR2
SCHEMBL6868847 0.65 CXCR2 (0.69) CXCR2CHRM5CX3CR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585867-B2 Substituted thiazolo[4,5-d]pyrimidin-2(3H)-one ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-7585867-B2 Substituted thiazolo[4,5-d]pyrimidin-2(3H)-one ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-7585867-B2 Substituted thiazolo[4,5-d]pyrimidin-2(3H)-one ASTRAZENECA AB (SE) 2009-09-08 US disclosed
EP-1542974-B1 5-[((2,3-difluorophenyl)methyl)thio]-7-{[(1S,2S)-2-hydroxy-1-(hydroxymethyl)propyl]amino}thiazolo[4,5-d]pyrimidin-2(3H)-one as CXCR2 antagonist ASTRAZENECA AB (SE) 2008-12-31 EP disclosed
EP-1543013-B1 5-[[(2,3-Difluorophenyl)methyl]thio]-7-[[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]amino]thiazolo[4,5-d]pyrimidin-2(3H)-one monosodium salt as CXCR2 antagonist ASTRAZENECA AB (SE) 2008-12-31 EP disclosed
US-20080306262-A1 Novel Compound ASTRAZENECA AB, A SWEDISH CORPORATION 2008-12-11 US disclosed
US-20080306262-A1 Novel Compound ASTRAZENECA AB, A SWEDISH CORPORATION 2008-12-11 US disclosed
US-20080306262-A1 Novel Compound ASTRAZENECA AB, A SWEDISH CORPORATION 2008-12-11 US disclosed
US-20060100221-A1 Novel compound ASTRAZENECA AB (SE) 2006-05-11 US disclosed
EP-1543013-A1 NOVEL COMPOUND Astrazeneca AB (SE) 2005-06-22 EP disclosed
WO-2004026880-A1 NOVEL COMPOUND ASTRAZENECA AB (SE) 2004-04-01 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-20060100221-A1 Novel compound SLC10A1, AVPR2, NPC1 CXCR2 156/4885CHRM5 3941/4885CX3CR1 2854/4885
US-20080306262-A1 Novel Compound SLC10A1, AVPR2, NPC1 CXCR2 156/4885CHRM5 3941/4885CX3CR1 2854/4885

“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.