SCHEMBL1487112

SCHEMBL1487112

COc1cc(NS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc(SCc2cccc(F)c2F)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.59
CXCR1 P25024 1/20 0.59
GPR119 Q8TDV5 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F13A1 P00488 2/20 0.39
TGM2 P21980 2/20 0.39
TGM1 P22735 2/20 0.39
KDM1A O60341 2/20 0.38
KDM1B Q8NB78 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
SCHEMBL1646054 0.97 CXCR2 (0.62) CXCR2CXCR1GPR119MAPTSMN1; SMN2
SCHEMBL1486995 0.93 CXCR2 (0.58) CXCR2CXCR1GPR119MAPTSMN1; SMN2
SCHEMBL1487215 0.92 CXCR2 (0.57) CXCR2CXCR1MAPTF13A1TGM2
SCHEMBL1487241 0.91 CXCR2 (0.58) CXCR2CXCR1GPR119MAPTSMN1; SMN2
SCHEMBL1487028 0.91 CXCR2 (0.56) CXCR2CXCR1GPR119MAPTSMN1; SMN2
SCHEMBL1487208 0.90 CXCR2 (0.58) CXCR2CXCR1GPR119MAPTSMN1; SMN2
SCHEMBL1487836 0.90 CXCR2 (0.63) CXCR2CXCR1
SCHEMBL1487235 0.89 CXCR2 (0.61) CXCR2CXCR1GPR119
SCHEMBL1487172 0.88 CXCR2 (0.50) CXCR2CXCR1GPR119MAPTSMN1; SMN2
SCHEMBL1487237 0.88 CXCR2 (0.50) CXCR2CXCR1GPR119MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722883-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2014-05-13 US disclosed
EP-1809624-B1 PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-11-20 EP disclosed
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA R&D ALDERLY PARK (GB) 2013-08-08 US disclosed
US-8410123-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2013-04-02 US disclosed
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2013-01-10 US disclosed
US-8269002-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-09-18 US disclosed
US-20120157431-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2012-06-21 US disclosed
EP-2311827-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators. AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-2301933-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators AstraZeneca AB (SE) 2011-03-30 EP disclosed
US-7838675-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2010-11-23 US disclosed
US-20080096860-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1809624-A1 PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-07-25 EP disclosed
WO-2006024823-A1 PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-03-09 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-20120157431-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885GPR119 70/4885
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885GPR119 70/4885
US-20080096860-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885GPR119 72/4885
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885GPR119 72/4885

“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.