SCHEMBL17958327

SCHEMBL17958327

N#CC(=Cc1cn(CCCc2ccccc2)c2cc(Cl)ccc12)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.53
▸ ENPP2 Q13822 4/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ PDE4A P27815 3/20 0.43
▸ PDE4B Q07343 3/20 0.43
▸ PDE4C Q08493 3/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ SNCA P37840 2/20 0.41
▸ APEX1 P27695 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL16596241 1.00 APP (0.53) APPENPP2PTGDR2PDE4APDE4B
SCHEMBL16596257 0.95 ENPP2 (0.51) APPENPP2PTGDR2PDE4APDE4B
SCHEMBL17958356 0.92 ENPP2 (0.59) APPENPP2PTGDR2KMT2APOLB
SCHEMBL17958357 0.92 ENPP2 (0.59) APPENPP2PTGDR2KMT2APOLB
SCHEMBL16596307 0.91 APP (0.51) APPENPP2PTGDR2PDE4APDE4B
SCHEMBL17971219 0.91 MAPT (0.53) APPENPP2PTGDR2PDE4APDE4B
SCHEMBL16587066 0.89 APP (0.66) APPENPP2PTGDR2KMT2APOLB
SCHEMBL17958325 0.89 APP (0.66) APPENPP2PTGDR2KMT2APOLB
SCHEMBL17958360 0.86 ENPP2 (0.61) APPENPP2PTGDR2KMT2APOLB
SCHEMBL16596256 0.86 ENPP2 (0.61) APPENPP2PTGDR2KMT2APOLB

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 1099/4885ENPP2 1/4885PTGDR2 4382/4885

“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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