SCHEMBL489580

SCHEMBL489580

Oc1cc(O)nc(SCc2cccc(Cl)c2F)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.50
HTR1B P28222 1/20 0.45
CX3CR1 P49238 1/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MGAM O43451 3/20 0.43
GAA P10253 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CCR7 P32248 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
SCHEMBL490245 0.85 CXCR2 (0.50) CXCR2CCR7
SCHEMBL490197 0.85 CXCR2 (0.49) CXCR2HTR1BCX3CR1MAPTKMT2A
SCHEMBL489739 0.82 SMN1; SMN2 (0.41) CXCR2L3MBTL1KMT2AMEN1MGAM
SCHEMBL490136 0.80 KDM1A (0.38) CXCR2MGAMGAASIMGAM2
SCHEMBL490047 0.79 ALPL (0.44) CXCR2MAPTL3MBTL1KMT2AMEN1
SCHEMBL490086 0.79 MPO (0.48) CXCR2HTR1BCX3CR1KMT2AMEN1
SCHEMBL5310796 0.78 L3MBTL1 (0.56) MAPTL3MBTL1KMT2AMEN1MGAM
SCHEMBL1487220 0.77 CXCR2 (0.38) CXCR2MGAMGAASIMGAM2
SCHEMBL2899683 0.76 NPC1 (0.48) CXCR2CX3CR1CCR7
SCHEMBL1487257 0.76 CXCR2 (0.48) CXCR2HTR1BCX3CR1MAPTL3MBTL1

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 38/4885HTR1B 2017/4885CX3CR1 96/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885HTR1B 2017/4885CX3CR1 96/4885

“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.