SCHEMBL13552149

SCHEMBL13552149

Cc1cc(C(=O)O)ccc1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.44
MGLL Q99685 3/20 0.39
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
SCN9A Q15858 3/20 0.36
SLC6A7 Q99884 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
PTGFR P43088 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL13552146 0.94 PTH1R (0.44) PTH1RMGLLCSNK2A2CSNK2BSCN9A
SCHEMBL849349 0.92 PTH1R (0.46) PTH1RMGLLSCN9ASLC6A7MMP2
SCHEMBL849348 0.92 PTH1R (0.46) PTH1RMGLLSCN9ASLC6A7MMP2
SCHEMBL13552137 0.92 PTH1R (0.47) PTH1RMGLLSCN9ASLC6A7MMP2
SCHEMBL847635 0.90 MGLL (0.44) PTH1RMGLLSLC6A7
SCHEMBL847634 0.90 MGLL (0.44) PTH1RMGLLSLC6A7
SCHEMBL849397 0.89 MGLL (0.42) PTH1RMGLLSLC6A7
SCHEMBL849396 0.89 MGLL (0.42) PTH1RMGLLSLC6A7
SCHEMBL13552105 0.89 IP6K1 (0.40) PTH1RMGLL
SCHEMBL850264 0.89 PTH1R (0.44) PTH1RSCN9AMMP2MMP3

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 1869/4885MGLL 4716/4885CSNK2A2 605/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885MGLL 4716/4885CSNK2A2 605/4885

“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.