SCHEMBL944872

SCHEMBL944872

CC(C)(C)OC(=O)CCCCCCCCCCCCCCN=C=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC8 Q9BY41 3/20 0.34
HDAC3 O15379 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
DGKA P23743 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.30
LMNA P02545 2/20 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
SCHEMBL2133709 1.00 EPHX2 (0.39) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL20591017 0.94 TSHR (0.37) EPHX2TDP1LMNA
SCHEMBL11241248 0.93 EPHX2 (0.35) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL16742415 0.85 HDAC3 (0.36) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL14482131 0.81 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL20450540 0.81 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL3251209 0.81 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL2380206 0.81 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL28706088 0.81 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL3914424 0.81 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024604-A1 NOVEL INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2021-01-28 US disclosed
US-20200172593-A1 INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2020-06-04 US disclosed
US-20180371045-A1 NOVEL INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2018-12-27 US disclosed
EP-2448962-B1 INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2016-10-19 EP disclosed
US-20160229902-A1 Novel Insulin Derivatives NOVO NORDISK AS (DK) 2016-08-11 US disclosed
US-20120184487-A1 INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2012-07-19 US disclosed
EP-2448962-A1 INSULIN DERIVATIVES Novo Nordisk A/S (DK) 2012-05-09 EP disclosed
WO-2011000823-A1 INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2011-01-06 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 (5 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-20200172593-A1 INSULIN DERIVATIVES INSR, IRS1, GPR119 EPHX2 4883/4885HDAC1 1949/4885HDAC2 3991/4885
US-20210024604-A1 NOVEL INSULIN DERIVATIVES GPR119, INSR, IRS1 EPHX2 4878/4885HDAC1 2145/4885HDAC2 4123/4885
US-20180371045-A1 NOVEL INSULIN DERIVATIVES GPR119, INSR, IRS1 EPHX2 4878/4885HDAC1 2145/4885HDAC2 4123/4885
US-20160229902-A1 Novel Insulin Derivatives GPR119, INSR, IRS1 EPHX2 4878/4885HDAC1 2145/4885HDAC2 4123/4885
US-20120184487-A1 INSULIN DERIVATIVES INSR, IRS1, GPR119 EPHX2 4883/4885HDAC1 1949/4885HDAC2 3991/4885

“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.