SCHEMBL489710

SCHEMBL489710

Nc1cc(=O)[nH]c(SCc2cccc(F)c2F)n1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
SCN9A Q15858 6/20 0.60
LMNA P02545 3/20 0.57
USP2 O75604 1/20 0.57
SCN5A Q14524 1/20 0.51
GRIN2C Q14957 1/20 0.51

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
SCHEMBL489686 0.88 MEN1 (0.77) CXCR2MEN1KMT2ASCN9ALMNA
SCHEMBL489952 0.80 MEN1 (0.81) MEN1KMT2ASCN9ALMNAUSP2
SCHEMBL3853163 0.76 RAB9A (0.57) CXCR2MEN1KMT2A
SCHEMBL489784 0.76 SCN9A (0.56) MEN1KMT2ASCN9ALMNAUSP2
SCHEMBL4225334 0.74 CXCR2 (1.00) CXCR2
SCHEMBL842322 0.74 CXCR2 (0.70) CXCR2
SCHEMBL4497818 0.73 CXCR2 (0.61) CXCR2
SCHEMBL489736 0.73 KMT2A (1.00) MEN1KMT2ASCN9ALMNAUSP2
SCHEMBL5951413 0.71 RAB9A (0.51) CXCR2
SCHEMBL490008 0.71 NPC1 (0.48) CXCR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 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
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
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-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
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-20050272750-A1 Novel compound ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 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 (4 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 CXCR2 38/4885MEN1 3586/4885KMT2A 3621/4885
US-20060100221-A1 Novel compound SLC10A1, AVPR2, NPC1 CXCR2 156/4885MEN1 839/4885KMT2A 4421/4885
US-20050272750-A1 Novel compound SLC10A1, AVPR2, NPC1 CXCR2 156/4885MEN1 839/4885KMT2A 4421/4885
US-20080306262-A1 Novel Compound SLC10A1, AVPR2, NPC1 CXCR2 156/4885MEN1 839/4885KMT2A 4421/4885

“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.