SCHEMBL3084209

SCHEMBL3084209

COC(=O)CN(C)C(=O)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TET2 Q6N021 1/20 0.32
RECQL P46063 1/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30

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
SCHEMBL3088181 0.77 MVD (0.41) KDM4ETSHRTET2
SCHEMBL19169705 0.77 ALDH1A1 (0.33)
SCHEMBL19176892 0.76 OPRM1 (0.31)
SCHEMBL19169693 0.75
SCHEMBL8990009 0.75 CA12 (0.42) KDM4EHTTMEN1KMT2ACA12
SCHEMBL23135884 0.75 MEN1 (0.39) KDM4EHTTMEN1KMT2ACA12
SCHEMBL19821450 0.75 ALDH1A1 (0.43) KDM4EHTTMEN1KMT2ACA12
SCHEMBL14902242 0.75 MGAM (0.52) KDM4EHTTMEN1KMT2ACA12
SCHEMBL10266347 0.75 MEN1 (0.39) KDM4EHTTMEN1KMT2ACA12
SCHEMBL21070174 0.74 KDM4E (0.37) KDM4EHTTMEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795255-B2 Rigidified compounds for modulating heparanase activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2010-09-14 US claimed
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof ULTRAGENYX PHARMACEUTICAL INC. (US) 2023-09-12 US disclosed
US-7795255-B2 Rigidified compounds for modulating heparanase activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2010-09-14 US disclosed
US-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2008-02-14 US disclosed
EP-1846383-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY Insight Biopharmaceuticals Ltd. (IL) 2007-10-24 EP disclosed
WO-2006072953-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2006-07-13 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-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT KDM4E 1255/4885HTT 4330/4885MEN1 4024/4885
US-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity HPSE, HEXA, GAA KDM4E 2167/4885HTT 56/4885MEN1 3219/4885

“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.