SCHEMBL9972770

SCHEMBL9972770

COc1cc(NS(=O)(=O)N2CCC2)nc(SC)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 6/20 0.43
▸ CXCR1 P25024 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ADORA3 P0DMS8 4/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ FKBP1A P62942 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ TSHR P16473 1/20 0.33

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 0.81 CXCR2 (0.51) CXCR2CXCR1ADORA3
SCHEMBL1487315 0.80 CXCR2 (0.49) CXCR2CXCR1ADORA3ADORA1HPGD
SCHEMBL1487393 0.80 CXCR2 (0.47) CXCR2CXCR1ADORA3ALDH1A1ADORA1
SCHEMBL1487908 0.79 CXCR2 (0.47) CXCR2CXCR1ADORA3ALDH1A1LMNA
SCHEMBL1487174 0.78 CXCR2 (0.49) CXCR2CXCR1ADORA2AALDH1A1LMNA
SCHEMBL1487302 0.78 CXCR2 (0.45) CXCR2CXCR1L3MBTL1ADORA3ADORA1
SCHEMBL1487270 0.78 CXCR2 (0.63) CXCR2CXCR1L3MBTL1LMNAMAPT
SCHEMBL1487189 0.77 CXCR2 (0.62) CXCR2CXCR1L3MBTL1ADORA3ALDH1A1
SCHEMBL1487252 0.77 CXCR2 (0.54) CXCR2CXCR1L3MBTL1ADORA3ALDH1A1
SCHEMBL1487287 0.77 CXCR2 (0.48) CXCR2CXCR1ALDH1A1TSHR

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 7 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
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

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 1/4885L3MBTL1 4559/4885
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885L3MBTL1 4559/4885
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885L3MBTL1 4559/4885
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CXCR2 4/4885CXCR1 1/4885L3MBTL1 4496/4885

“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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