Sugi Predict

Sugi Predict / Compounds / SCHEMBL13554207

SCHEMBL13554207

SCHEMBL13554207

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1ccc(C2=NC3(CCN(S(=O)(=O)/C=C/c4c(C)cc(C(=O)N5CCC(C)(O)CC5)cc4C)CC3)C(=O)N2)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 6/20 0.35
▸ MGLL Q99685 1/20 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
SCHEMBL13554264 0.94 PTH1R (0.34) PTH1RMGLL
SCHEMBL13554211 0.93 PTH1R (0.36) PTH1RMGLL
SCHEMBL13554202 0.91 PTH1R (0.34) PTH1R
SCHEMBL850629 0.90 PTH1R (0.38) PTH1RMGLL
SCHEMBL850630 0.90 PTH1R (0.38) PTH1RMGLL
SCHEMBL13554223 0.90 PTH1R (0.32) PTH1R
SCHEMBL849949 0.88 PTH1R (0.37) PTH1RMGLL
SCHEMBL849948 0.88 PTH1R (0.37) PTH1RMGLL
SCHEMBL13554225 0.88 PTH1R (0.36) PTH1R
SCHEMBL849450 0.88 PTH1R (0.36) PTH1RMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 — — 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885MGLL 4716/4885

“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.