SCHEMBL16912972

SCHEMBL16912972

CCCCC1CCC(Oc2cccc3cc(CN4CC(C(=O)OC)C4)ccc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.71
KDM2B Q8NHM5 1/20 0.41
S1PR1 P21453 3/20 0.39
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL15564682 1.00 ENPP2 (0.71) ENPP2KDM2BS1PR1KDM4E
SCHEMBL16912970 0.92 ENPP2 (0.84) ENPP2KDM2BS1PR1KDM4E
SCHEMBL15564182 0.92 ENPP2 (0.84) ENPP2KDM2BS1PR1KDM4E
SCHEMBL15564558 0.91 ENPP2 (0.83) ENPP2S1PR1
SCHEMBL15564555 0.91 ENPP2 (0.83) ENPP2S1PR1
SCHEMBL16912981 0.87 ENPP2 (0.71) ENPP2KDM2B
SCHEMBL15564762 0.87 ENPP2 (0.71) ENPP2KDM2B
SCHEMBL16912975 0.86 ENPP2 (0.75) ENPP2
SCHEMBL20953353 0.86 ENPP2 (0.75) ENPP2
SCHEMBL15565055 0.86 ENPP2 (0.75) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273234-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2019-04-30 US disclosed
EP-2879674-B1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-11-22 EP disclosed
US-20150203493-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2015-07-23 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 (2 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-10273234-B2 Compounds that are S1P modulating agents and/or ATX modulating agents ENPP2, S1PR1, S1PR2 ENPP2 1/4885KDM2B 3204/4885S1PR1 2/4885
US-20150203493-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 ENPP2 1/4885KDM2B 3204/4885S1PR1 2/4885

“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.