Sugi Predict

Sugi Predict / Compounds / SCHEMBL489714

SCHEMBL489714

SCHEMBL489714

C[Si](C)(C)CCOCN(c1cc(Cl)nc(SCc2ccccc2)n1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 8/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CTSB P07858 2/20 0.34
▸ RXRA P19793 2/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL489810 0.87 L3MBTL1 (0.35) CXCR2NPC1RAB9ASMN1; SMN2RXRA
SCHEMBL489712 0.87 ALDH1A1 (0.34) CXCR2NPC1RAB9ASMN1; SMN2CTSB
SCHEMBL489732 0.86 ALDH1A1 (0.40) CXCR2SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL489697 0.81 CXCR2 (0.34) CXCR2RXRAPPARDPPARA
SCHEMBL489779 0.81 CXCR2 (0.34) CXCR2CTSBRXRAPPARDPPARA
SCHEMBL490253 0.81 CXCR2 (0.59) CXCR2
SCHEMBL489899 0.72 CXCR2 (0.44) CXCR2
SCHEMBL490031 0.72 CXCR2 (0.39) CXCR2RXRAPPARDPPARARXRB
SCHEMBL489353 0.71 CXCR2 (0.52) CXCR2
SCHEMBL489923 0.71 CXCR2 (0.52) CXCR2

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 5 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

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 38/4885NPC1 2790/4885RAB9A 1335/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885NPC1 2790/4885RAB9A 1335/4885

“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.