SCHEMBL3374336

SCHEMBL3374336

CC(C=O)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
APLNR P35414 1/20 0.38
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NFKB1 P19838 3/20 0.35
NFKB2 Q00653 3/20 0.35
RELA Q04206 3/20 0.35
CTSS P25774 1/20 0.34

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
SCHEMBL7922248 0.81 PIK3CD (0.47) CTSKCA1CA2CA7APLNR
SCHEMBL14831297 0.78 CA1 (0.43) CTSKCA1CA2CA7APLNR
SCHEMBL12691730 0.76 CA1 (0.42) CTSKCA1CA2CA7APLNR
SCHEMBL28382751 0.76 CA1 (0.42) CTSKCA1CA2CA7APLNR
SCHEMBL16855012 0.75 APLNR (0.42) CTSKCA1CA2CA7APLNR
SCHEMBL27277682 0.75 APLNR (0.42) CTSKCA1CA2CA7APLNR
SCHEMBL21258185 0.74 CA1 (0.41) CTSKCA1CA2CA7APLNR
SCHEMBL22728175 0.74 CA1 (0.41) CTSKCA1CA2CA7APLNR
SCHEMBL17035395 0.74 MEN1 (0.43) CTSKCA1CA2CA7APLNR
SCHEMBL28467923 0.74 CTSK (0.51) CTSKCA1CA2CA7APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135577-A1 DIHYDROPYRAZOLOPYRAZINONE DERIVATIVE HAVING MGAT2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2022-05-05 US disclosed
WO-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 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 (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-20220135577-A1 DIHYDROPYRAZOLOPYRAZINONE DERIVATIVE HAVING MGAT2 INHIBITORY ACTIVITY MGAT2, MGAT1, SLC6A5 CTSK 2341/4885CA1 3415/4885CA2 555/4885

“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.