SCHEMBL16750276

SCHEMBL16750276

O=C(O)[C@@H]1Cc2c(n(Cc3ccc(F)cc3)c3ccccc23)CN1Cl

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.59
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ FABP4 P15090 2/20 0.47
▸ TBXA2R P21731 3/20 0.46
▸ PTGDR Q13258 3/20 0.46
▸ PTGDR2 Q9Y5Y4 3/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.45
▸ HDAC1 Q13547 4/20 0.45
▸ HDAC10 Q969S8 2/20 0.45

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
SCHEMBL16750324 0.86 ENPP2 (0.45) ENPP2FABP4TBXA2RPTGDR2HDAC6
SCHEMBL16750267 0.85 ENPP2 (0.46) ENPP2CA1CA2PTGDR2HDAC6
SCHEMBL18044821 0.84 ENPP2 (0.56) ENPP2CA1CA2FABP4TBXA2R
SCHEMBL18044835 0.82 ENPP2 (0.52) ENPP2FABP4TBXA2RPTGDRPTGDR2
SCHEMBL30425869 0.82 ENPP2 (0.52) ENPP2FABP4TBXA2RPTGDRPTGDR2
SCHEMBL16742434 0.82 ENPP2 (0.52) ENPP2FABP4TBXA2RPTGDRPTGDR2
SCHEMBL16742433 0.82 ENPP2 (0.52) ENPP2FABP4TBXA2RPTGDRPTGDR2
SCHEMBL16750207 0.81 ENPP2 (0.43) ENPP2CA1CA2HDAC6HDAC1
SCHEMBL18044837 0.79 ENPP2 (0.57) ENPP2CA1CA2FABP4TBXA2R
SCHEMBL18044836 0.79 ENPP2 (0.57) ENPP2CA1CA2FABP4TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 — — US disclosed
WO-2016028686-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS PHARMAKEA, INC. (US) 2016-02-25 — — WO disclosed
US-9051320-B1 Methods for the treatment of metabolic disorders by a selective small molecule autotaxin inhibitor PHARMAKEA, INC. (US) 2015-06-09 — — US disclosed
WO-2015077502-A1 TETRACYCLIC AUTOTAXIN INHIBITORS PHARMAKEA, INC. (US) 2015-05-28 — — WO 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-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ENPP2 1/4885CA1 1161/4885CA2 1375/4885

“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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