SCHEMBL489739

SCHEMBL489739

Cc1cccc(CSc2nc(O)cc(O)n2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CXCR2 P25025 10/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
METAP2 P50579 1/20 0.38
CCR7 P32248 1/20 0.38
HTT P42858 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL489678 0.82 MEN1 (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL489580 0.82 CXCR2 (0.50) CXCR2HPGDL3MBTL1MEN1KMT2A
SCHEMBL490047 0.82 ALPL (0.44) SMN1; SMN2CXCR2NPC1ALDH1A1HPGD
SCHEMBL490136 0.80 KDM1A (0.38) CXCR2CCR7MGAMGAASI
SCHEMBL16920967 0.78 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1487220 0.77 CXCR2 (0.38) CXCR2CCR7HTTMGAMGAA
SCHEMBL6635771 0.77 CYP3A4 (0.56) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21338165 0.76 MEN1 (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2899683 0.76 NPC1 (0.48) SMN1; SMN2CXCR2NPC1RAB9ACCR7

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 SMN1; SMN2 3600/4885CYP1A2 3129/4885CYP3A4 2456/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 SMN1; SMN2 3600/4885CYP1A2 3129/4885CYP3A4 2456/4885

“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.