SCHEMBL1487243

SCHEMBL1487243

COc1cc(NS(=O)(=O)N2CCC2)nc(SCc2ccc(C#N)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 9/20 0.46
▸ CXCR1 P25024 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 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
SCHEMBL1487418 0.87 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL1487908 0.87 CXCR2 (0.47) CXCR2CXCR1ALDH1A1LMNA
SCHEMBL1487315 0.86 CXCR2 (0.49) CXCR2CXCR1HPGDMAPK1
SCHEMBL1487115 0.83 CXCR2 (0.53) CXCR2CXCR1ALDH1A1NPSR1L3MBTL1
SCHEMBL1487252 0.81 CXCR2 (0.54) CXCR2CXCR1ALDH1A1LMNAPOLB
SCHEMBL1487287 0.81 CXCR2 (0.48) CXCR2CXCR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL1487393 0.79 CXCR2 (0.47) CXCR2CXCR1ALDH1A1HTTTSHR
SCHEMBL1487270 0.78 CXCR2 (0.63) CXCR2CXCR1LMNAL3MBTL1
SCHEMBL1487174 0.78 CXCR2 (0.49) CXCR2CXCR1ALDH1A1HTTTSHR
SCHEMBL1487189 0.77 CXCR2 (0.62) CXCR2CXCR1ALDH1A1L3MBTL1HPGD

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 12 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
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2011-05-26 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 1/4885ALDH1A1 2139/4885
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885ALDH1A1 2139/4885
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885ALDH1A1 2139/4885
US-20080096860-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885ALDH1A1 1919/4885
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885ALDH1A1 1919/4885

“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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