SCHEMBL879898

SCHEMBL879898

Cc1cc(NC2CCCC2)ccc1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.53
IP6K1 Q92551 1/20 0.37
MRGPRX2 Q96LB1 1/20 0.33
PDK2 Q15119 1/20 0.32
LMNA P02545 1/20 0.32
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
CALCRL Q16602 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL850962 0.88 PTH1R (0.51) PTH1RCALCRLALDH1A1
SCHEMBL850961 0.88 PTH1R (0.51) PTH1RCALCRLALDH1A1
SCHEMBL13064846 0.86 PTH1R (0.48) PTH1RGFERCALCRLALDH1A1
SCHEMBL879773 0.86 PTH1R (0.49) PTH1RCALCRLALDH1A1
SCHEMBL848083 0.86 PTH1R (0.51) PTH1RCALCRL
SCHEMBL848084 0.86 PTH1R (0.51) PTH1RCALCRL
SCHEMBL13555060 0.84 PTH1R (0.51) PTH1RCALCRL
SCHEMBL13555084 0.84 PTH1R (0.48) PTH1R
SCHEMBL847186 0.84 PTH1R (0.48) PTH1RCALCRLALDH1A1
SCHEMBL847187 0.84 PTH1R (0.48) 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 4 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-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
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 (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 1869/4885IP6K1 3018/4885MRGPRX2 1106/4885

“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.