SCHEMBL16596288

SCHEMBL16596288

COc1ccc(Cn2cc(/C=C(\C#N)c3ccc(C(=O)O)cc3)c3ccc(Cl)c(F)c32)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.67
▸ KMT2A Q03164 4/20 0.43
▸ APP P05067 2/20 0.40
▸ PTPN7 P35236 4/20 0.40
▸ PTPN12 Q05209 4/20 0.40
▸ PTPN22 Q9Y2R2 4/20 0.40
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SNCA P37840 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34

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
SCHEMBL17958312 1.00 ENPP2 (0.67) ENPP2KMT2AAPPPTPN7PTPN12
SCHEMBL16596272 0.92 ENPP2 (0.56) ENPP2KMT2AAPPPTPN7PTPN12
SCHEMBL17971257 0.90 ENPP2 (0.57) ENPP2KMT2AAPPPTPN7PTPN12
SCHEMBL17958322 0.86 ENPP2 (0.69) ENPP2KMT2AAPPPTPN7PTPN12
SCHEMBL16596276 0.86 ENPP2 (0.69) ENPP2KMT2AAPPPTPN7PTPN12
SCHEMBL16596242 0.84 ENPP2 (0.69) ENPP2KMT2AAPPPTPN7PTPN12
SCHEMBL17968553 0.84 ENPP2 (0.77) ENPP2KMT2AAPPPTPN7PTPN12
SCHEMBL17958334 0.84 ENPP2 (0.69) ENPP2KMT2AAPPPTPN7PTPN12
SCHEMBL17968551 0.84 ENPP2 (0.77) ENPP2KMT2AAPPPTPN7PTPN12
SCHEMBL17971233 0.82 ENPP2 (0.47) ENPP2APPALDH1A1L3MBTL1KDM4E

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
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
US-8952016-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-02-10 — — 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 1/4885KMT2A 1696/4885APP 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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