SCHEMBL490136

SCHEMBL490136

Oc1cc(O)nc(SCc2cccc(C(F)(F)F)c2F)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
CXCR2 P25025 10/20 0.37
CCR7 P32248 4/20 0.37
CD38 P28907 1/20 0.36
MPL P40238 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
AKR1B1 P15121 1/20 0.36
APLNR P35414 1/20 0.36
CXCR1 P25024 1/20 0.35
TOP2A P11388 2/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL490121 0.83 KDM1A (0.38) KDM1ACXCR2CCR7CD38MGAM
SCHEMBL490245 0.82 CXCR2 (0.50) CXCR2CCR7
SCHEMBL489739 0.80 SMN1; SMN2 (0.41) CXCR2CCR7MGAMGAASI
SCHEMBL489580 0.80 CXCR2 (0.50) CXCR2CCR7MGAMGAASI
SCHEMBL490047 0.77 ALPL (0.44) CXCR2CCR7
SCHEMBL1487220 0.75 CXCR2 (0.38) CXCR2CCR7MGAMGAASI
SCHEMBL2899683 0.74 NPC1 (0.48) CXCR2CCR7CXCR1
SCHEMBL3849119 0.71 KDM4E (0.42) KDM1ATOP2A
SCHEMBL8538736 0.71 AKR1B1 (0.40) CD38MPLAKR1B1P2RX7
SCHEMBL1487154 0.69 CXCR2 (0.45) CXCR2CCR7CXCR1

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 KDM1A 3615/4885CXCR2 38/4885CCR7 31/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 KDM1A 3615/4885CXCR2 38/4885CCR7 31/4885

“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.