SCHEMBL21114477

SCHEMBL21114477

[CH2]C12CCC(NC(=O)OC(C)(C)C)(CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP8 Q6V1X1 3/20 0.34
DPP9 Q86TI2 3/20 0.34
DGAT1 O75907 1/20 0.34
CTSL P07711 1/20 0.33
APLNR P35414 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.31
BTK Q06187 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CACNA1H O95180 1/20 0.31
FOLH1 Q04609 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
SCHEMBL22346156 0.84 MEN1 (0.39) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL15979032 0.82 MEN1 (0.40) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL24031366 0.82 MEN1 (0.40) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL16118673 0.81 MEN1 (0.46) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL14476540 0.80 MEN1 (0.36) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL1535995 0.79 KMT2A (0.38) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL15979033 0.79 MEN1 (0.38) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL28961660 0.79 KMT2A (0.38) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL11953286 0.79 MEN1 (0.35) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL21146008 0.78 MEN1 (0.37) MEN1MAPK1KMT2ADPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2019-07-11 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 (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-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 MEN1 3998/4885MAPK1 992/4885KMT2A 3726/4885

“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.