SCHEMBL16596286

SCHEMBL16596286

COc1ccc2c(/C=C(\C#N)c3ccc(C(=O)O)cc3)cn(Cc3ccc(OC)nc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.70
▸ APP P05067 2/20 0.46
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ PTPN7 P35236 1/20 0.39
▸ PTPN12 Q05209 1/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ TAS2R14 Q9NYV8 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
SCHEMBL17958358 1.00 ENPP2 (0.70) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL17975419 0.92 ENPP2 (0.65) ENPP2APPKMT2APTPN11SNCA
SCHEMBL17971236 0.92 ENPP2 (0.58) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL16596242 0.91 ENPP2 (0.69) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL17958334 0.91 ENPP2 (0.69) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL16596306 0.91 ENPP2 (0.58) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL16596319 0.86 ENPP2 (0.63) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL17958302 0.86 ENPP2 (0.63) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL19156159 0.85 ENPP2 (0.61) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL16596289 0.85 ENPP2 (0.59) ENPP2APPMAPTSMN1; SMN2TP53

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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