SCHEMBL12372456

SCHEMBL12372456

C[C@H](C(OC(N)=O)C(C)(C)C)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
SCHEMBL3166310 0.82 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3166174 0.82 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL1487050 0.82 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3828367 0.82 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28085799 0.80 LMNA (0.36) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL23176869 0.79 TSHR (0.46) TSHRCHRM2CHRM4CHRM1MAPT
SCHEMBL14592888 0.79 LMNA (0.39) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL14592889 0.79 LMNA (0.39) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3161142 0.78 LMNA (0.35) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3157430 0.78 LMNA (0.35) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989600-B2 Bioconjugation; drug screening GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. 2011-08-02 US disclosed
US-20090048221-A1 Conjugates with Anti-Inflammatory Activity GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-02-19 US disclosed
US-20080241959-A1 Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2008-10-02 US disclosed
US-20080096830-A1 Anti-Inflammatory Macrolide Conjugates GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2008-04-24 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 (3 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-20080241959-A1 Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification BTD, HLCS, MRPL12 LMNA 148/4885TSHR 1578/4885CHRM2 4266/4885
US-20080096830-A1 Anti-Inflammatory Macrolide Conjugates NLRP3, IL1B, MPO LMNA 1141/4885TSHR 4179/4885CHRM2 1473/4885
US-20090048221-A1 Conjugates with Anti-Inflammatory Activity MPO, EPX, NOD1 LMNA 190/4885TSHR 3957/4885CHRM2 332/4885

“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.