SCHEMBL11241248

SCHEMBL11241248

CC(C)(C)OC(=O)CCCN=C=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.31
STING1 Q86WV6 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
SCHEMBL944872 0.93 EPHX2 (0.39) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL2133709 0.93 EPHX2 (0.39) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL16742415 0.89 HDAC3 (0.36) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL20591017 0.87 TSHR (0.37) EPHX2TSHR
SCHEMBL13663867 0.80
SCHEMBL3403179 0.79 TSHR (0.56) TSHR
SCHEMBL134923 0.77 EPHX2 (0.46) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL1639757 0.77 TSHR (0.50) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL15476844 0.76 TSHR (0.34) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL2889944 0.76 CYP2D6 (0.35) HDAC8HDAC1HDAC2HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 US disclosed
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 US disclosed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 US disclosed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 US disclosed
EP-3071569-A1 TETRACYCLIC AUTOTAXIN INHIBITORS Pharmakea Inc. (US) 2016-09-28 EP disclosed
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 US disclosed
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 US disclosed
WO-2015077502-A1 TETRACYCLIC AUTOTAXIN INHIBITORS PHARMAKEA, INC. (US) 2015-05-28 WO disclosed
WO-2015077502-A1 TETRACYCLIC AUTOTAXIN INHIBITORS PHARMAKEA, INC. (US) 2015-05-28 WO disclosed
US-4349552-A TREATMENT OF CANCER FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-09-14 US disclosed
EP-0010941-B1 5-FLUOROURACIL DERIVATIVES, PREPARATION THEREOF AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-12 EP disclosed
EP-0010941-A1 5-Fluorouracil derivatives, preparation thereof and their pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-05-14 EP 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-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA EPHX2 2953/4885HDAC8 1047/4885HDAC1 1017/4885
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 EPHX2 2788/4885HDAC8 10/4885HDAC1 4/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA EPHX2 2953/4885HDAC8 1047/4885HDAC1 1017/4885

“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.