SCHEMBL490039

SCHEMBL490039

O=S(=O)(Nc1c(Cl)nc(SCc2cccc(Cl)c2F)nc1Cl)N1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.65
CXCR1 P25024 1/20 0.40
HTR1B P28222 1/20 0.39
CX3CR1 P49238 1/20 0.39
OPRL1 P41146 3/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
KMT2A Q03164 1/20 0.36
MYLK Q15746 1/20 0.36
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL489576 0.86 CXCR2 (0.75) CXCR2CXCR1HTR1BCX3CR1OPRL1
SCHEMBL1646509 0.82 CXCR2 (0.72) CXCR2CXCR1HTR1BCX3CR1OPRL1
SCHEMBL490041 0.80 CXCR2 (0.58) CXCR2HTR1BCX3CR1OPRL1MAPK1
SCHEMBL489772 0.79 CXCR2 (1.00) CXCR2CXCR1HTR1BCX3CR1
SCHEMBL489912 0.78 CXCR2 (0.83) CXCR2CXCR1HTR1BCX3CR1
SCHEMBL489780 0.74 CXCR2 (0.75) CXCR2CXCR1
SCHEMBL490272 0.74 CXCR2 (0.65) CXCR2CXCR1HTR1BCX3CR1
SCHEMBL489669 0.73 CXCR2 (0.63) CXCR2CXCR1HTR1BCX3CR1CYP2D6
SCHEMBL1486999 0.72 CXCR2 (0.64) CXCR2CXCR1
SCHEMBL1487295 0.72 CXCR2 (0.63) CXCR2CXCR1

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
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-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 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 (2 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 38/4885CXCR1 9/4885HTR1B 2017/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885CXCR1 9/4885HTR1B 2017/4885

“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.