SCHEMBL4197126

SCHEMBL4197126

O=C(OS(=O)(=O)C(F)(F)F)C(O)CO

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.41
HTT P42858 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
SCHEMBL3927763 0.78 OR51E2 (0.42) OR51E2HTT
SCHEMBL9752586 0.76 OR51E2 (0.40) OR51E2
SCHEMBL2169407 0.74 CXCR2 (0.35)
SCHEMBL3441578 0.74 OR51E2 (0.39) OR51E2
SCHEMBL11559471 0.72 OR51E2 (0.37) OR51E2
SCHEMBL27719997 0.71 ALDH1A1 (0.32)
SCHEMBL28646053 0.69 ALDH1A1 (0.38)
SCHEMBL8864068 0.69 ALDH1A1 (0.38)
Sulfuric Acid SCHEMBL276967 0.69 OR51E2 (0.42) OR51E2
SCHEMBL28351233 0.68 SLC7A5 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1574216-B1 Inhibitors of phosphatidyl Myo-Inositol Cycle UNIV GEORGETOWN (US) 2009-03-11 EP disclosed
US-20070213398-A1 INHIBITORS OF PHOSPHATIDYL MYO-INOSITOL CYCLE KOZIKOWSKI ALAN P 2007-09-13 US disclosed
US-7153843-B2 Inhibitors of phosphatidyl myo-inositol cycle GEORGETOWN UNIVERSITY (US) 2006-12-26 US disclosed
EP-1574216-A1 Inhibitors of phosphatidyl Myo-Inositol Cycle GEORGETOWN UNIVERSITY (US) 2005-09-14 EP disclosed
US-20040192770-A1 Inhibitors of phosphatidyl myo-inositol cycle NIH - DEITR 2004-09-30 US disclosed
US-6667340-B1 3-deoxy-D-myo-inositol analogs; inhibiting cell proliferation and/or differentiation; promotion of cell apoptosis ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2003-12-23 US disclosed
EP-1119364-A4 INHIBITORS OF PHOSPHATIDYL MYO-INOSITOL CYCLE UNIV GEORGETOWN (US) 2002-06-19 EP disclosed
EP-1119364-A1 INHIBITORS OF PHOSPHATIDYL MYO-INOSITOL CYCLE GEORGETOWN UNIVERSITY (US) 2001-08-01 EP disclosed
US-6245754-B1 3-DEOXY-D-MYO-INOSITOL ANALOGS; PHOSPHATIDYL INOSITOL 3-KINASE INHIBITORS; ANTICARCINOGENIC AND ANTITUMOR AGENTS NIH - DEITR 2001-06-12 US disclosed
WO-2000000206-A1 INHIBITORS OF PHOSPHATIDYL MYO-INOSITOL CYCLE GEORGETOWN UNIVERSITY (US) 2000-01-06 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 (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-20040192770-A1 Inhibitors of phosphatidyl myo-inositol cycle PIP5K1B, PPIP5K2, PIP5K1A OR51E2 4786/4885HTT 4875/4885
US-20070213398-A1 INHIBITORS OF PHOSPHATIDYL MYO-INOSITOL CYCLE PIP5K1B, PPIP5K2, PIP5K1A OR51E2 4786/4885HTT 4875/4885

“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.