SCHEMBL17971260

SCHEMBL17971260

Cc1ccc2c(/C=C(\C#N)c3ccc(C(=O)O)cc3)cn(Cc3cnc(C)s3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.45
▸ APP P05067 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.39
▸ DNM1L O00429 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ SLC16A1 P53985 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL17971251 0.91 ENPP2 (0.49) ENPP2APPMAPTLMNASMN1; SMN2
SCHEMBL17971222 0.87 MAPT (0.45) ENPP2APPMAPTLMNASMN1; SMN2
SCHEMBL17971259 0.83 ENPP2 (0.57) ENPP2APPMAPTLMNASMN1; SMN2
SCHEMBL17971258 0.81 ENPP2 (0.50) ENPP2APPMAPTLMNASMN1; SMN2
SCHEMBL16596239 0.80 ENPP2 (0.45) ENPP2APPMAPTPTGDR2TDP1
SCHEMBL17958343 0.80 ENPP2 (0.45) ENPP2APPMAPTPTGDR2TDP1
SCHEMBL17971249 0.80 ENPP2 (0.66) ENPP2APPMAPTLMNASMN1; SMN2
SCHEMBL17958362 0.79 ENPP2 (0.51) ENPP2APPMAPTPTGDR2TDP1
SCHEMBL16596250 0.79 ENPP2 (0.51) ENPP2APPMAPTPTGDR2TDP1
SCHEMBL17958367 0.77 ENPP2 (0.42) ENPP2APPMAPTLMNASMN1; SMN2

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 2 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-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 1/4885APP 1099/4885MAPT 327/4885

“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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