SCHEMBL879786

SCHEMBL879786

CC(=O)OCC(=O)N(CCO)c1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(c2cccc(OC(F)(F)F)c2)NC3=O)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 11/20 0.53
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
SLC6A9 P48067 1/20 0.32
SCN9A Q15858 3/20 0.32
ABL1 P00519 1/20 0.30

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
SCHEMBL16302438 0.93 PTH1R (0.45) PTH1R
SCHEMBL847938 0.93 PTH1R (0.55) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL847508 0.92 PTH1R (0.56) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL13553348 0.91 PTH1R (0.49) PTH1RMMP2MMP3SLC6A9
SCHEMBL848078 0.90 PTH1R (0.55) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL848899 0.89 PTH1R (0.54) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL850156 0.87 PTH1R (0.54) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL13064704 0.86 PTH1R (0.43) PTH1RMMP2MMP3SCN9A
SCHEMBL16302439 0.86 PTH1R (0.47) PTH1R
SCHEMBL848339 0.86 PTH1R (0.61) PTH1RMMP2MMP3SLC6A9SCN9A

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
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
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 1869/4885MMP2 2725/4885MMP3 1111/4885

“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.