SCHEMBL16596242

SCHEMBL16596242

COc1ccc(Cn2cc(/C=C(\C#N)c3ccc(C(=O)O)cc3)c3ccc(Cl)cc32)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.69
▸ APP P05067 2/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ SNCA P37840 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ PTPN7 P35236 1/20 0.39
▸ PTPN12 Q05209 1/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ TP53 P04637 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
SCHEMBL17958334 1.00 ENPP2 (0.69) ENPP2APPKMT2AKDM4EMEN1
SCHEMBL18078959 0.93 ENPP2 (0.62) ENPP2APPKMT2AKDM4EMEN1
SCHEMBL17971256 0.93 ENPP2 (0.59) ENPP2APPKMT2AKDM4EMEN1
SCHEMBL17958304 0.92 ENPP2 (0.59) ENPP2APPKMT2AKDM4EMEN1
SCHEMBL16596289 0.92 ENPP2 (0.59) ENPP2APPKMT2AKDM4EMEN1
SCHEMBL17971246 0.92 ENPP2 (0.57) ENPP2APPKMT2AKDM4EMEN1
SCHEMBL16596308 0.91 ENPP2 (0.57) ENPP2APPKMT2AKDM4EMEN1
SCHEMBL17958358 0.91 ENPP2 (0.70) ENPP2APPKMT2AKDM4EMEN1
SCHEMBL16596286 0.91 ENPP2 (0.70) ENPP2APPKMT2AKDM4EMEN1
SCHEMBL17971254 0.89 ENPP2 (0.56) ENPP2APPKMT2AKDM4EMEN1

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 8 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
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 1/4885APP 1099/4885KMT2A 1696/4885

“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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