SCHEMBL850430

SCHEMBL850430

CC(=O)Nc1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(Nc2cccc(C(F)(F)F)c2)NC3=O)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 7/20 0.62
IDH1 O75874 2/20 0.42
TRPV4 Q9HBA0 2/20 0.40
MPO P05164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
TACR1 P25103 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL850238 0.93 PTH1R (0.65) PTH1RIDH1KDM4EALDH1A1TACR1
SCHEMBL847032 0.90 PTH1R (0.63) PTH1RIDH1TRPV4KDM4EALDH1A1
SCHEMBL847877 0.87 PTH1R (0.46) PTH1RIDH1TRPV4UBE2MDCUN1D1
SCHEMBL846638 0.81 PTH1R (0.68) PTH1R
SCHEMBL848105 0.80 PTH1R (0.69) PTH1RALDH1A1
SCHEMBL849632 0.80 PTH1R (0.49) PTH1RTACR1EPHX2
SCHEMBL850075 0.80 PTH1R (0.51) PTH1RIDH1TRPV4EPHX2
SCHEMBL850074 0.80 PTH1R (0.51) PTH1RIDH1TRPV4EPHX2
SCHEMBL849239 0.79 PTH1R (0.50) PTH1RIDH1TRPV4TACR1
SCHEMBL850179 0.79 PTH1R (0.66) PTH1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP claimed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP claimed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US claimed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP claimed
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
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP 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
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP 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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO 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 1869/4885IDH1 1238/4885TRPV4 70/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885IDH1 1238/4885TRPV4 70/4885

“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.