SCHEMBL15032469

SCHEMBL15032469

CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
GSR P00390 1/20 0.33
PPM1D O15297 2/20 0.31

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
SCHEMBL5380472 0.75 NPY1R (0.38) GSRPPM1D
SCHEMBL7464146 0.75 NPY1R (0.38) GSRPPM1D
SCHEMBL5380480 0.75 NPY1R (0.38) GSRPPM1D
SCHEMBL13573044 0.75 NPY1R (0.41) CA2GSRPPM1D
SCHEMBL7464139 0.75 NPY1R (0.38) GSRPPM1D
SCHEMBL16554702 0.75 PPM1D (0.32) PPM1D
SCHEMBL16799031 0.75 PPM1D (0.32) PPM1D
SCHEMBL5380476 0.75 NPY1R (0.38) GSRPPM1D
SCHEMBL14861352 0.75 PPM1D (0.32) PPM1D
SCHEMBL16772247 0.75 PPM1D (0.30) PPM1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP disclosed
US-9611287-B2 Trioxacarcins and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-04-04 US disclosed
US-20160355537-A1 TRIOXACARCINS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-12-08 US disclosed
US-9102697-B2 Trioxacarcins and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-08-11 US disclosed
US-9102697-B2 Trioxacarcins and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-08-11 US disclosed
US-20130150314-A1 TRIOXACARCINS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-06-13 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-20160355537-A1 TRIOXACARCINS AND USES THEREOF PCSK9, PCSK7, PCSK6 CA2 1737/4885GSR 689/4885PPM1D 2284/4885
US-20130150314-A1 TRIOXACARCINS AND USES THEREOF PCSK9, PCSK7, ABCC9 CA2 1601/4885GSR 717/4885PPM1D 2250/4885

“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.