SCHEMBL16742422

SCHEMBL16742422

CCOC(=O)CCNCC1Cc2c(n(Cc3ccc(F)cc3)c3ccccc23)CN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.43
▸ HDAC1 Q13547 6/20 0.43
▸ ENPP2 Q13822 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ NCOR2 Q9Y618 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL20240355 0.91 ENPP2 (0.47) HDAC6HDAC1ENPP2L3MBTL1HDAC8
SCHEMBL16750311 0.83 ENPP2 (0.50) HDAC6HDAC1ENPP2HDAC8HDAC2
SCHEMBL18070799 0.83 ENPP2 (0.50) HDAC6HDAC1ENPP2HDAC8HDAC2
SCHEMBL16750184 0.82 ENPP2 (0.49) HDAC6HDAC1ENPP2HDAC8HDAC2
SCHEMBL16742450 0.80 ENPP2 (0.45) HDAC6HDAC1ENPP2L3MBTL1HDAC8
SCHEMBL16750281 0.80 HDAC6 (0.41) HDAC6HDAC1ENPP2L3MBTL1HDAC8
SCHEMBL16750317 0.80 ENPP2 (0.47) HDAC6HDAC1ENPP2HDAC8HDAC2
SCHEMBL16750309 0.78 HDAC6 (0.50) HDAC6HDAC1ENPP2HDAC8HDAC2
SCHEMBL16742433 0.78 ENPP2 (0.52) HDAC6HDAC1ENPP2HDAC8HDAC2
SCHEMBL16742434 0.78 ENPP2 (0.52) HDAC6HDAC1ENPP2HDAC8HDAC2

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 10 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-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 — — 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

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-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA HDAC6 195/4885HDAC1 1017/4885ENPP2 1/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA HDAC6 195/4885HDAC1 1017/4885ENPP2 1/4885

“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.

Send feedback