SCHEMBL489732

SCHEMBL489732

C[Si](C)(C)CCOCN(c1cc(Cl)nc(SCc2ccccc2)n1)S(=O)(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 7/20 0.37
HTT P42858 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL489712 0.93 ALDH1A1 (0.34) ALDH1A1NPSR1TSHRTP53LMNA
SCHEMBL489810 0.93 L3MBTL1 (0.35) ALDH1A1NPSR1TSHRTP53LMNA
SCHEMBL489714 0.86 CXCR2 (0.36) ALDH1A1TP53LMNAHTTL3MBTL1
SCHEMBL489724 0.84 CXCR2 (0.51) CXCR2
SCHEMBL489899 0.79 CXCR2 (0.44) CXCR2
SCHEMBL490031 0.78 CXCR2 (0.39) L3MBTL1CXCR2
SCHEMBL489923 0.77 CXCR2 (0.52) CXCR2
SCHEMBL489353 0.77 CXCR2 (0.52) CXCR2
SCHEMBL4459471 0.73 CXCR2 (0.42) TSHRLMNASMN1; SMN2MAPTCXCR2
SCHEMBL489702 0.73 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 ALDH1A1 2245/4885NPSR1 36/4885TSHR 857/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 ALDH1A1 2245/4885NPSR1 36/4885TSHR 857/4885

“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.