SCHEMBL16750306

SCHEMBL16750306

O=C(O)CCN1C(=O)[C@@H]2Cc3c(n(Cc4ccc(F)cc4)c4ccccc34)CN2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 1.00
▸ HDAC6 Q9UBN7 10/20 0.64
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ TBXA2R P21731 5/20 0.46
▸ PTGDR Q13258 5/20 0.46
▸ PTGDR2 Q9Y5Y4 5/20 0.46
▸ ABCB11 O95342 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ CCKAR P32238 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL16750178 1.00 ENPP2 (1.00) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16760778 0.99 ENPP2 (0.98) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750299 0.95 ENPP2 (0.90) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750176 0.95 ENPP2 (0.90) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750307 0.95 ENPP2 (0.90) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL18070811 0.92 ENPP2 (0.85) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750265 0.92 ENPP2 (0.85) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750277 0.91 ENPP2 (0.84) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750229 0.91 ENPP2 (0.84) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL18044816 0.91 ENPP2 (0.84) ENPP2HDAC6HDAC4HDAC1HDAC2

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 14 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
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-2016028686-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS PHARMAKEA, INC. (US) 2016-02-25 — — WO disclosed
US-9051320-B1 Methods for the treatment of metabolic disorders by a selective small molecule autotaxin inhibitor PHARMAKEA, INC. (US) 2015-06-09 — — US disclosed
US-9051320-B1 Methods for the treatment of metabolic disorders by a selective small molecule autotaxin inhibitor PHARMAKEA, INC. (US) 2015-06-09 — — US disclosed
US-9051320-B1 Methods for the treatment of metabolic disorders by a selective small molecule autotaxin inhibitor PHARMAKEA, INC. (US) 2015-06-09 — — 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 195/4885HDAC4 1646/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ENPP2 1/4885HDAC6 195/4885HDAC4 1646/4885

“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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