SCHEMBL13552137

SCHEMBL13552137

Cc1cc(C(=O)O)cc(C)c1/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 9)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.47
MGLL Q99685 2/20 0.38
SCN9A Q15858 3/20 0.37
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
DHODH Q02127 2/20 0.34
SLC6A7 Q99884 1/20 0.34
LDHA P00338 1/20 0.34

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
SCHEMBL849729 0.93 PTH1R (0.50) PTH1RMGLLSCN9AMMP2MMP3
SCHEMBL849728 0.93 PTH1R (0.50) PTH1RMGLLSCN9AMMP2MMP3
SCHEMBL13552149 0.92 PTH1R (0.44) PTH1RMGLLSCN9AMMP2MMP3
SCHEMBL848131 0.92 PTH1R (0.49) PTH1RMGLLSCN9AMMP2MMP3
SCHEMBL848132 0.92 PTH1R (0.49) PTH1RMGLLSCN9AMMP2MMP3
SCHEMBL848706 0.91 PTH1R (0.44) PTH1RMGLLSCN9ASLC6A7
SCHEMBL13552146 0.90 PTH1R (0.44) PTH1RMGLLSCN9AMMP2MMP3
SCHEMBL848985 0.90 PTH1R (0.44) PTH1RMGLLSCN9ASLC6A7
SCHEMBL847781 0.90 PTH1R (0.44) PTH1RMGLLSCN9ASLC6A7
SCHEMBL13552171 0.90 PTH1R (0.44) PTH1RMGLLSCN9ASLC6A7

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 4716/4885SCN9A 553/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885MGLL 4716/4885SCN9A 553/4885

“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.