SCHEMBL489665

SCHEMBL489665

CN(C)CCS(=O)(=O)O.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PDE4A P27815 1/20 0.46
LMNA P02545 1/20 0.39
SLC6A6 P31641 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
MAPT P10636 1/20 0.36
APP P05067 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL361493 0.97
SCHEMBL30018569 0.94 PTGS1 (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
Ammonia Solution, Strong SCHEMBL15643579 0.94 PTGS1 (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
Water SCHEMBL21295578 0.94 PTGS1 (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
Potassium SCHEMBL29855512 0.94 PTGS1 (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
Propene SCHEMBL27830357 0.87 PTGS1 (0.40) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL30579953 0.85 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL5017073 0.84 APP (0.44) PTGS1PDE4ALMNASLC6A6CYP2C19
Propylene Glycol SCHEMBL29683504 0.82 TDP1 (0.42) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL128907 0.81 APP (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19

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 PTGS1 298/4885PDE4A 900/4885LMNA 4818/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 PTGS1 298/4885PDE4A 900/4885LMNA 4818/4885

“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.