SCHEMBL17971254

SCHEMBL17971254

Cc1ccc(Cn2cc(/C=C(\C#N)c3ccc(C(=O)O)cc3)c3ccc(Cl)cc32)cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.56
▸ APP P05067 3/20 0.49
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SNCA P37840 3/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL17971226 0.92 APP (0.49) ENPP2APPMAPTKDM4EALDH1A1
SCHEMBL16596251 0.91 ENPP2 (0.60) ENPP2APPMAPTKDM4EL3MBTL1
SCHEMBL17971259 0.91 ENPP2 (0.57) ENPP2APPMAPTKDM4EALDH1A1
SCHEMBL17958332 0.91 ENPP2 (0.60) ENPP2APPMAPTKDM4EL3MBTL1
SCHEMBL17971253 0.89 ENPP2 (0.57) ENPP2APPMAPTKDM4EPTGDR2
SCHEMBL17958334 0.89 ENPP2 (0.69) ENPP2APPMAPTKDM4EALDH1A1
SCHEMBL16596242 0.89 ENPP2 (0.69) ENPP2APPMAPTKDM4EALDH1A1
SCHEMBL17971256 0.88 ENPP2 (0.59) ENPP2APPMAPTKDM4EALDH1A1
SCHEMBL17958359 0.87 ENPP2 (0.54) ENPP2APPMAPTKDM4EPTGDR2
SCHEMBL16596285 0.87 ENPP2 (0.54) ENPP2APPMAPTKDM4EPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714240-B2 Vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-07-25 — — US disclosed
US-9714240-B2 Vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-07-25 — — US disclosed
US-20160222000-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-04 — — US disclosed
US-20160222000-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-04 — — US 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 (1 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-20160222000-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINB10 ENPP2 1/4885APP 1099/4885MAPT 327/4885

“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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