SCHEMBL16750336

SCHEMBL16750336

CC(C)(CN1C(=O)[C@@H]2Cc3c(n(Cc4ccc(F)cc4)c4ccccc34)CN2C1=O)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.74
▸ HDAC6 Q9UBN7 13/20 0.61
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ TBXA2R P21731 2/20 0.40
▸ PTGDR Q13258 2/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.39

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
SCHEMBL16750219 0.92 ENPP2 (0.77) ENPP2HDAC6HDAC1HDAC8HDAC4
SCHEMBL16750183 0.90 ENPP2 (0.75) ENPP2HDAC6HDAC1HDAC8HDAC4
SCHEMBL16750265 0.88 ENPP2 (0.85) ENPP2HDAC6HDAC1HDAC8HDAC4
SCHEMBL16750230 0.87 ENPP2 (0.57) ENPP2HDAC6PTGDRPTGDR2
SCHEMBL18044833 0.86 ENPP2 (0.72) ENPP2HDAC6HDAC1HDAC8HDAC4
SCHEMBL16750190 0.86 ENPP2 (0.67) ENPP2HDAC6HDAC1HDAC8HDAC4
SCHEMBL16750306 0.85 ENPP2 (1.00) ENPP2HDAC6HDAC1HDAC8HDAC4
SCHEMBL16750178 0.85 ENPP2 (1.00) ENPP2HDAC6HDAC1HDAC8HDAC4
SCHEMBL16760778 0.84 ENPP2 (0.98) ENPP2HDAC6HDAC1HDAC8HDAC4
SCHEMBL16750310 0.84 ENPP2 (0.79) ENPP2HDAC6HDAC1HDAC8HDAC4

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 claimed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 — — US claimed
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 — — US claimed
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
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

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

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