SCHEMBL17958368

SCHEMBL17958368

N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.72
▸ SNCA P37840 4/20 0.68
▸ ENPP2 Q13822 2/20 0.67
▸ MAPT P10636 4/20 0.63
▸ NPSR1 Q6W5P4 3/20 0.63
▸ SENP7 Q9BQF6 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ GAA P10253 1/20 0.63
▸ CASP3 P42574 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ SENP8 Q96LD8 1/20 0.63
▸ SENP6 Q9GZR1 1/20 0.63
▸ KMT2A Q03164 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.57
▸ HTT P42858 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MEN1 O00255 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ HPGD P15428 1/20 0.55

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
SCHEMBL16596318 1.00 APP (0.72) APPSNCAENPP2MAPTNPSR1
SCHEMBL17958306 0.90 ENPP2 (0.70) APPSNCAENPP2MAPTNPSR1
SCHEMBL17958365 0.90 ENPP2 (0.67) APPSNCAENPP2MAPTNPSR1
SCHEMBL16596317 0.90 ENPP2 (0.67) APPSNCAENPP2MAPTNPSR1
SCHEMBL16596325 0.90 ENPP2 (0.70) APPSNCAENPP2MAPTNPSR1
SCHEMBL16596367 0.89 APP (0.68) APPSNCAENPP2MAPTNPSR1
SCHEMBL17971235 0.89 APP (0.71) APPSNCAENPP2MAPTNPSR1
SCHEMBL14680435 0.88 APP (0.60) APPSNCAENPP2MAPTNPSR1
SCHEMBL16586422 0.87 ENPP2 (0.69) APPSNCAENPP2MAPTNPSR1
SCHEMBL17958316 0.87 ENPP2 (0.67) APPSNCAENPP2MAPTNPSR1

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 APP 1099/4885SNCA 1828/4885ENPP2 1/4885

“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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