SCHEMBL4475954

SCHEMBL4475954

CC(CO)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 1.00
▸ CXCR1 P25024 1/20 0.86
▸ CX3CR1 P49238 2/20 0.67
▸ CCR7 P32248 1/20 0.55

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
SCHEMBL842193 0.93 CXCR2 (1.00) CXCR2CXCR1CX3CR1CCR7
SCHEMBL13712919 0.90 CXCR2 (0.81) CXCR2CXCR1CX3CR1CCR7
SCHEMBL4482409 0.89 CXCR2 (0.80) CXCR2CXCR1CX3CR1CCR7
SCHEMBL4483211 0.87 CXCR2 (0.77) CXCR2CXCR1CX3CR1CCR7
SCHEMBL6866821 0.85 CXCR2 (0.74) CXCR2CXCR1CX3CR1
SCHEMBL5035710 0.83 CXCR2 (0.74) CXCR2CXCR1CX3CR1CCR7
SCHEMBL6859607 0.83 CXCR2 (0.72) CXCR2CXCR1CX3CR1
SCHEMBL6859529 0.83 CXCR2 (1.00) CXCR2CXCR1CX3CR1
SCHEMBL842319 0.83 CXCR2 (1.00) CXCR2CXCR1CX3CR1
SCHEMBL4488684 0.83 CXCR2 (1.00) CXCR2CXCR1CX3CR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 — — US claimed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 — — EP claimed
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-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
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
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 — — US disclosed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 — — EP disclosed
EP-1104425-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-06 — — EP disclosed
WO-2000009511-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-02-24 — — 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 156/4885CXCR1 274/4885CX3CR1 2854/4885
US-20080306262-A1 Novel Compound SLC10A1, AVPR2, NPC1 CXCR2 156/4885CXCR1 274/4885CX3CR1 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.

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