SCHEMBL13311337

SCHEMBL13311337

C[C@@H]1NC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)OC1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
PARP1 P09874 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5073457 0.95 TSHR (0.37) TSHRPARP1CYP2C19
SCHEMBL15195476 0.80 CA1 (0.32)
SCHEMBL13311356 0.77 PARP1 (0.38) PARP1CYP2C19
SCHEMBL15034 0.77 CA1 (0.41) PARP1
SCHEMBL8104271 0.77 CA1 (0.41) PARP1
SCHEMBL732959 0.77 CA1 (0.41) PARP1
SCHEMBL2860232 0.77 CA1 (0.41) PARP1
SCHEMBL15195848 0.77 CA1 (0.41) PARP1
SCHEMBL439067 0.77 CA1 (0.41) PARP1
SCHEMBL44996 0.77 CA1 (0.41) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513188-B2 Formulations comprising cyclic compounds CAPSUGEL BELGIUM (BE) 2013-08-20 US disclosed
US-8513188-B2 Formulations comprising cyclic compounds CAPSUGEL BELGIUM (BE) 2013-08-20 US disclosed
US-20100137188-A1 FORMULATIONS COMPRISING CYCLIC COMPOUNDS CAPSUGEL BELGIUM (BE) 2010-06-03 US disclosed
US-20100137188-A1 FORMULATIONS COMPRISING CYCLIC COMPOUNDS CAPSUGEL BELGIUM (BE) 2010-06-03 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-20100137188-A1 FORMULATIONS COMPRISING CYCLIC COMPOUNDS SLC2A1, SLC2A4, SLC2A9 TSHR 2925/4885PARP1 2869/4885CYP2C19 1644/4885

“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.