SCHEMBL1487050

SCHEMBL1487050

CC(O)[C@H](OC(N)=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
TSHR P16473 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3166174 1.00 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3166310 1.00 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3828367 0.82 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL12372456 0.82 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL14598126 0.82 LMNA (0.33) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28085799 0.80 LMNA (0.36) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3161142 0.78 LMNA (0.35) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3157430 0.78 LMNA (0.35) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL12207130 0.77 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3166354 0.77 LMNA (0.34) LMNATSHRCHRM2CHRM4CHRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2311827-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators. AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-2301933-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators AstraZeneca AB (SE) 2011-03-30 EP 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 (1 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-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 LMNA 4718/4885TSHR 1859/4885CHRM2 1325/4885

“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.