SCHEMBL17971236

SCHEMBL17971236

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.58
▸ MAPT P10636 6/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TP53 P04637 2/20 0.46
▸ APP P05067 3/20 0.45
▸ LMNA P02545 3/20 0.43
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SNCA P37840 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 2/20 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
SCHEMBL19156159 0.94 ENPP2 (0.61) ENPP2MAPTSMN1; SMN2TP53APP
SCHEMBL17958358 0.92 ENPP2 (0.70) ENPP2MAPTSMN1; SMN2TP53APP
SCHEMBL16596286 0.92 ENPP2 (0.70) ENPP2MAPTSMN1; SMN2TP53APP
SCHEMBL16596306 0.91 ENPP2 (0.58) ENPP2MAPTSMN1; SMN2TP53APP
SCHEMBL17971246 0.91 ENPP2 (0.57) ENPP2MAPTSMN1; SMN2TP53APP
SCHEMBL19155991 0.89 ENPP2 (0.57) ENPP2MAPTSMN1; SMN2TP53APP
SCHEMBL17971261 0.84 ENPP2 (0.56) ENPP2MAPTSMN1; SMN2TP53APP
SCHEMBL17975419 0.84 ENPP2 (0.65) ENPP2APPALDH1A1SNCAL3MBTL1
SCHEMBL16596255 0.83 ENPP2 (0.54) ENPP2MAPTSMN1; SMN2TP53APP
SCHEMBL17971238 0.83 ENPP2 (0.49) ENPP2MAPTSMN1; SMN2TP53APP

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 3 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

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 1/4885MAPT 327/4885SMN1; SMN2 2623/4885

“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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