SCHEMBL17958357

SCHEMBL17958357

N#CC(=Cc1cn(CCCc2ccc(F)cc2)c2cc(Cl)ccc12)c1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.59
▸ KMT2A Q03164 3/20 0.46
▸ APP P05067 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ PTPN7 P35236 2/20 0.41
▸ PTPN12 Q05209 2/20 0.41
▸ PTPN22 Q9Y2R2 2/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ SNCA P37840 1/20 0.41
▸ POLB P06746 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ APEX1 P27695 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL17958356 1.00 ENPP2 (0.59) ENPP2KMT2AAPPMAPTPTPN7
SCHEMBL16596256 0.95 ENPP2 (0.61) ENPP2KMT2AAPPMAPTPTPN7
SCHEMBL17958360 0.95 ENPP2 (0.61) ENPP2KMT2AAPPMAPTPTPN7
SCHEMBL16596257 0.95 ENPP2 (0.51) ENPP2KMT2AAPPMAPTPTGDR2
SCHEMBL17958327 0.92 APP (0.53) ENPP2KMT2AAPPMAPTPTGDR2
SCHEMBL16596241 0.92 APP (0.53) ENPP2KMT2AAPPMAPTPTGDR2
SCHEMBL16586424 0.90 ENPP2 (0.69) ENPP2KMT2AAPPMAPTPTPN7
SCHEMBL16586422 0.90 ENPP2 (0.69) ENPP2KMT2AAPPMAPTPTPN7
SCHEMBL16596426 0.85 APP (0.43) ENPP2KMT2AAPPMAPTPTGDR2
SCHEMBL17971218 0.85 ENPP2 (0.49) ENPP2KMT2AAPPMAPTPTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885KMT2A 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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