SCHEMBL13552158

SCHEMBL13552158

O=C(O)c1ccccc1CCS(=O)(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 7/20 0.62
CALCRL Q16602 1/20 0.40
SLC6A9 P48067 5/20 0.36
BRS3 P32247 1/20 0.35
CCR5 P51681 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL847395 0.90 PTH1R (0.64) PTH1RCALCRLSLC6A9
SCHEMBL13552159 0.88 PTH1R (0.62) PTH1RCALCRLSLC6A9
SCHEMBL847240 0.86 PTH1R (0.70) PTH1RCALCRLSLC6A9
SCHEMBL13552086 0.86 PTH1R (0.61) PTH1RCALCRL
SCHEMBL848117 0.84 PTH1R (0.59) PTH1RCALCRL
SCHEMBL848263 0.84 PTH1R (0.58) PTH1RCALCRLSLC6A9ALDH1A1
SCHEMBL13552099 0.83 PTH1R (0.48) PTH1RCALCRL
SCHEMBL848703 0.83 PTH1R (0.57) PTH1RCALCRLSLC6A9ALDH1A1
SCHEMBL13552186 0.81 PTH1R (0.62) PTH1RCALCRLSLC6A9
SCHEMBL13552155 0.81 PTH1R (0.56) PTH1RCALCRLALDH1A1

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 7 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-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 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 (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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885CALCRL 1957/4885SLC6A9 884/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885CALCRL 1957/4885SLC6A9 884/4885

“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.