SCHEMBL3594813

SCHEMBL3594813

N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1-c1ccc(O)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.66
CHRM5 P08912 1/20 0.42
CX3CR1 P49238 1/20 0.42
ADORA1 P30542 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
ADORA2A P29274 1/20 0.40

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
SCHEMBL3599639 0.92 CXCR2 (0.61) CXCR2CHRM5CX3CR1ADORA1MEN1
SCHEMBL13444972 0.92 CXCR2 (0.63) CXCR2ADORA1MEN1ALDH1A1CYP1A2
SCHEMBL13444973 0.92 CXCR2 (0.63) CXCR2CHRM5CX3CR1CYP1A2CYP2C9
SCHEMBL3606012 0.90 CXCR2 (0.54) CXCR2CHRM5CX3CR1MEN1ALDH1A1
SCHEMBL3611711 0.89 CXCR2 (0.53) CXCR2CHRM5CX3CR1ADORA1ADORA2A
SCHEMBL3610346 0.89 CXCR2 (0.65) CXCR2ADORA1ADORA2A
SCHEMBL3601099 0.89 CXCR2 (0.53) CXCR2CHRM5CX3CR1
SCHEMBL3611708 0.88 CXCR2 (0.52) CXCR2CHRM5CX3CR1ADORA1MEN1
SCHEMBL13444963 0.87 CXCR2 (0.51) CXCR2CHRM5CX3CR1MEN1ALDH1A1
SCHEMBL3606153 0.87 CXCR2 (0.54) CXCR2CHRM5CX3CR1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US claimed
CN-101541767-A Pyrimidines and their use as CXCR2 receptor antagonists NOVARTIS AG (CH) 2009-09-23 CN claimed
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
CN-101541767-A Pyrimidines and their use as CXCR2 receptor antagonists NOVARTIS AG (CH) 2009-09-23 CN disclosed
EP-2086947-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS Novartis AG (CH) 2009-08-12 EP disclosed
WO-2008061740-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 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 (1 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-20100063080-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 CXCR2 1/4885CHRM5 4122/4885CX3CR1 10/4885

“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.