SCHEMBL16742450

SCHEMBL16742450

CCOC(=O)CCNCC1Cc2c(n(Cc3ccc(F)cc3)c3ccccc23)CN1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC6 Q9UBN7 9/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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 0.83 ENPP2 (0.47) ENPP2L3MBTL1HDAC6HDAC1TP53
SCHEMBL16742422 0.80 HDAC6 (0.43) ENPP2L3MBTL1HDAC6HDAC1TP53
SCHEMBL16750283 0.79 ENPP2 (0.41) ENPP2L3MBTL1HDAC6HDAC1TP53
SCHEMBL18044824 0.78 ENPP2 (0.49) ENPP2HDAC6HDAC1LMNASMN1; SMN2
SCHEMBL18044826 0.78 ENPP2 (0.49) ENPP2HDAC6HDAC1LMNASMN1; SMN2
SCHEMBL16750187 0.76 ENPP2 (0.47) ENPP2HDAC6HDAC1LMNAALDH1A1
SCHEMBL18044822 0.75 ENPP2 (0.48) ENPP2L3MBTL1HDAC6HDAC1TP53
SCHEMBL16742442 0.74 ENPP2 (0.55) ENPP2HDAC6HDAC1HDAC2HDAC10
SCHEMBL30426169 0.74 ENPP2 (0.55) ENPP2HDAC6HDAC1HDAC2HDAC10
SCHEMBL16742444 0.74 ENPP2 (0.55) ENPP2HDAC6HDAC1HDAC2HDAC10

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 12 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-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
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 ENPP2 1/4885L3MBTL1 2352/4885HDAC6 195/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ENPP2 1/4885L3MBTL1 2352/4885HDAC6 195/4885

“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.

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