SCHEMBL11034010

SCHEMBL11034010

CCCCCCCCCCCCCCOc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.66
S1PR1 P21453 5/20 0.63
S1PR3 Q99500 5/20 0.63
S1PR2 O95136 2/20 0.63
LPAR2 Q9HBW0 2/20 0.63
S1PR4 O95977 3/20 0.59
S1PR5 Q9H228 3/20 0.59
NR5A1 Q13285 1/20 0.57
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G4B P0C869 2/20 0.54
DGAT2 Q96PD7 1/20 0.54
RARB P10826 3/20 0.51

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
SCHEMBL8824589 1.00 ENPP2 (0.66) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL11306410 1.00 ENPP2 (0.66) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL28066734 0.89 ENPP2 (0.54) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL8824568 0.86 S1PR1 (0.55) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL641483 0.83 SMN1; SMN2 (0.57) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL8824565 0.83 NR5A1 (0.51) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL11041654 0.83 NR5A1 (0.51) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL915764 0.81 ENPP2 (0.45) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL16301967 0.81 NQO1 (0.54) ENPP2TSHR
SCHEMBL28066732 0.81 S1PR1 (0.50) ENPP2S1PR1S1PR3S1PR2LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190650-A1 Inhibitors of Autotaxin UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 US claimed
WO-2012100018-A1 INHIBITORS OF AUTOTAXIN UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 WO claimed
US-8673882-B2 Inhibitors of autotaxin UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-03-18 US disclosed
US-20120190650-A1 Inhibitors of Autotaxin UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 US disclosed
WO-2012100018-A1 INHIBITORS OF AUTOTAXIN UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 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-20120190650-A1 Inhibitors of Autotaxin ENPP2, PHPT1, PSPH ENPP2 1/4885S1PR1 2810/4885S1PR3 3126/4885

“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.