SCHEMBL16596300

SCHEMBL16596300

CCOC(=O)c1ccc(/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3cc(Cl)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.54
▸ MAPT P10636 5/20 0.51
▸ APP P05067 2/20 0.47
▸ SNCA P37840 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ F2RL3 Q96RI0 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL17971221 0.88 ENPP2 (0.55) ENPP2MAPTAPPSNCASMN1; SMN2
SCHEMBL16586422 0.87 ENPP2 (0.69) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL16586424 0.87 ENPP2 (0.69) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL16586885 0.86 ENPP2 (0.60) ENPP2MAPTAPPSNCASMN1; SMN2
SCHEMBL16586883 0.86 ENPP2 (0.60) ENPP2MAPTAPPSNCASMN1; SMN2
SCHEMBL17958329 0.85 ENPP2 (0.56) ENPP2MAPTAPPSNCASMN1; SMN2
SCHEMBL17958331 0.85 ENPP2 (0.56) ENPP2MAPTAPPSNCASMN1; SMN2
SCHEMBL17971229 0.83 APP (0.57) ENPP2MAPTAPPSNCASMN1; SMN2
SCHEMBL16596265 0.82 ENPP2 (0.49) ENPP2MAPTAPPSNCASMN1; SMN2
SCHEMBL17971253 0.82 ENPP2 (0.57) ENPP2MAPTAPPSNCASMN1; SMN2

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 6 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
WO-2016144704-A2 HETEROCYCLIC AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2016-09-15 — — WO 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 1/4885MAPT 327/4885APP 1099/4885

“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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