SCHEMBL4812428

SCHEMBL4812428

CCC(=O)OP(=O)(OOCC(F)(F)F)OOCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4730466 0.81 HTT (0.36) HTT
SCHEMBL4812433 0.81 HTT (0.32) HTTNPC1RAB9ASMN1; SMN2
SCHEMBL13280244 0.76 HTT (0.37) HTT
SCHEMBL939429 0.73 ALDH1A1 (0.39) SMN1; SMN2
SCHEMBL974718 0.72 HTT (0.50) HTTNPC1RAB9ASMN1; SMN2
SCHEMBL31729547 0.68 HTT (0.34) HTT
SCHEMBL8707556 0.68 ALDH1A1 (0.35)
SCHEMBL28340713 0.68 HTT (0.34) HTT
SCHEMBL1563399 0.66 TSHR (0.55)
SCHEMBL9936931 0.64 NAAA (0.44) HTTNPC1RAB9ASMN1; SMN2

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-7351726-B2 Substituted oxadiazolidinediones WYETH (US) 2008-04-01 US disclosed
EP-1663213-A1 SUBSTITUTED OXADIAZOLIDINEDIONES AS PAI-1 INHIBITORS Wyeth (US) 2006-06-07 EP disclosed
WO-2005030204-A1 SUBSTITUTED OXADIAZOLIDINEDIONES AS PAI-1 INHIBITORS WYETH (US) 2005-04-07 WO disclosed
US-20050070585-A1 Substituted oxadiazolidinediones WYETH (US) 2005-03-31 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-20050070585-A1 Substituted oxadiazolidinediones OXA1L, COXFA4L2, DPYD HTT 2980/4885NPC1 3007/4885RAB9A 4175/4885

“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.