SCHEMBL11032045

SCHEMBL11032045

CCCCCCCCCCCCc1ccc2cc(C(C)(C)P(=O)(O)O)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.52
S1PR1 P21453 12/20 0.52
S1PR3 Q99500 12/20 0.52
S1PR2 O95136 9/20 0.47
S1PR4 O95977 7/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
PTPN11 Q06124 1/20 0.47
LPAR2 Q9HBW0 2/20 0.44
S1PR5 Q9H228 1/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL11028547 1.00 ENPP2 (0.52) ENPP2S1PR1S1PR3S1PR2S1PR4
SCHEMBL11030517 0.87 ENPP2 (0.63) ENPP2S1PR1S1PR3S1PR2S1PR4
SCHEMBL11760465 0.79 PTPN1 (0.57) PTPN2PTPN1PTPN6PTPN11KDM4E
SCHEMBL11029848 0.79 ENPP2 (0.73) ENPP2S1PR1S1PR3S1PR2S1PR4
SCHEMBL11028534 0.79 ENPP2 (0.73) ENPP2S1PR1S1PR3S1PR2S1PR4
SCHEMBL27844768 0.77 PTGS2 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11690859 0.77 PTGS2 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27995689 0.77 PTGS2 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11222681 0.77 PTGS2 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11030761 0.76 HDAC1 (0.43) PTPN1KDM4E

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-8673882-B2 Inhibitors of autotaxin UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-03-18 US disclosed
WO-2012100018-A1 INHIBITORS OF AUTOTAXIN UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 WO disclosed
US-20120190650-A1 Inhibitors of Autotaxin UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 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-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.