SCHEMBL16596289

SCHEMBL16596289

COc1ccc(Cn2cc(/C=C(\C#N)c3ccc(C(=O)O)nc3)c3ccc(Cl)cc32)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.59
▸ APP P05067 2/20 0.42
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ SNCA P37840 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ THRB P10828 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 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
SCHEMBL17958304 1.00 ENPP2 (0.59) ENPP2APPMAPTSMN1; SMN2MAPK8
SCHEMBL17958334 0.92 ENPP2 (0.69) ENPP2APPMAPTSMN1; SMN2MAPK8
SCHEMBL16596242 0.92 ENPP2 (0.69) ENPP2APPMAPTSMN1; SMN2MAPK8
SCHEMBL16596253 0.92 ENPP2 (0.53) ENPP2APPMAPTSMN1; SMN2MAPK8
SCHEMBL17971261 0.89 ENPP2 (0.56) ENPP2APPMAPTSMN1; SMN2MAPK8
SCHEMBL18078959 0.88 ENPP2 (0.62) ENPP2APPMAPTSMN1; SMN2MAPK8
SCHEMBL17971246 0.87 ENPP2 (0.57) ENPP2APPMAPTSMN1; SMN2MAPK8
SCHEMBL16596284 0.87 ENPP2 (0.58) ENPP2APPMAPTSMN1; SMN2SNCA
SCHEMBL17958321 0.87 ENPP2 (0.58) ENPP2APPMAPTSMN1; SMN2SNCA
SCHEMBL16596308 0.87 ENPP2 (0.57) ENPP2APPMAPTSMN1; SMN2MAPK8

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 7 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-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
US-20160222000-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-04 — — US disclosed
WO-2015042053-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-03-26 — — 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 (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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