SCHEMBL489810

SCHEMBL489810

C[Si](C)(C)CCOCN(c1cc(Cl)nc(SCc2ccccc2)n1)S(=O)(=O)N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
NPSR1 Q6W5P4 4/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
CXCR2 P25025 3/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
RXRA P19793 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL489712 0.98 ALDH1A1 (0.34) L3MBTL1NPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL489732 0.93 ALDH1A1 (0.40) L3MBTL1NPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL489714 0.87 CXCR2 (0.36) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL489899 0.83 CXCR2 (0.44) CXCR2
SCHEMBL489353 0.83 CXCR2 (0.52) CXCR2
SCHEMBL490031 0.83 CXCR2 (0.39) L3MBTL1CXCR2RXRAPPARDPPARA
SCHEMBL489923 0.81 CXCR2 (0.52) CXCR2
SCHEMBL489724 0.77 CXCR2 (0.51) CXCR2
SCHEMBL4459471 0.74 CXCR2 (0.42) SMN1; SMN2LMNATSHRCXCR2MAPT
SCHEMBL489701 0.74 CXCR2 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 4718/4885NPSR1 36/4885ALDH1A1 2245/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 L3MBTL1 4718/4885NPSR1 36/4885ALDH1A1 2245/4885

“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.