SCHEMBL16596276

SCHEMBL16596276

N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2c(F)c(Cl)ccc12)c1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.69
▸ KMT2A Q03164 4/20 0.50
▸ APP P05067 2/20 0.47
▸ SNCA P37840 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ PTPN7 P35236 3/20 0.42
▸ PTPN12 Q05209 3/20 0.42
▸ PTPN22 Q9Y2R2 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL17958322 1.00 ENPP2 (0.69) ENPP2KMT2AAPPSNCAMAPT
SCHEMBL17971234 0.89 ENPP2 (0.55) ENPP2KMT2AAPPSNCAMAPT
SCHEMBL16596432 0.89 ENPP2 (0.56) ENPP2KMT2AAPPSNCAMAPT
SCHEMBL16596378 0.89 ENPP2 (0.67) ENPP2KMT2AAPPSNCAMAPT
SCHEMBL17958293 0.89 ENPP2 (0.67) ENPP2KMT2AAPPSNCAMAPT
SCHEMBL17971257 0.88 ENPP2 (0.57) ENPP2KMT2AAPPSNCAMAPT
SCHEMBL16596288 0.86 ENPP2 (0.67) ENPP2KMT2AAPPSNCAMAPT
SCHEMBL17958312 0.86 ENPP2 (0.67) ENPP2KMT2AAPPSNCAMAPT
SCHEMBL16596325 0.83 ENPP2 (0.70) ENPP2KMT2AAPPSNCAMAPT
SCHEMBL17958306 0.83 ENPP2 (0.70) ENPP2KMT2AAPPSNCAMAPT

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 1/4885KMT2A 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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