SCHEMBL848059

SCHEMBL848059

CNc1ccc(C=CS(=O)(=O)N2CCC3(CC2)N=C(c2cccc(OC(F)(F)F)c2)NC3=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.43
SCN9A Q15858 3/20 0.36
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
KIT P10721 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
PIM1 P11309 1/20 0.33
OTUD7B Q6GQQ9 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL848058 1.00 PTH1R (0.43) PTH1RSCN9ACCNT1CDK9KIT
SCHEMBL16087580 0.92 PTH1R (0.41) PTH1RSCN9ACCNT1CDK9KIT
SCHEMBL848151 0.92 PTH1R (0.42) PTH1RSCN9ACCNT1CDK9KIT
SCHEMBL18211331 0.92 PTH1R (0.41) PTH1RSCN9ACCNT1CDK9KIT
SCHEMBL848149 0.92 PTH1R (0.42) PTH1RSCN9ACCNT1CDK9KIT
SCHEMBL848419 0.92 PTH1R (0.44) PTH1RSCN9ACCNT1CDK9MMP2
SCHEMBL848420 0.92 PTH1R (0.44) PTH1RSCN9ACCNT1CDK9MMP2
SCHEMBL879962 0.91 PTH1R (0.43) PTH1RSCN9ACCNT1CDK9KIT
SCHEMBL13555176 0.90 PTH1R (0.43) PTH1RSCN9ACCNT1CDK9MMP2
SCHEMBL13555128 0.90 PTH1R (0.40) PTH1RSCN9APIM1

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-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
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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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 1869/4885SCN9A 553/4885CCNT1 1134/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885SCN9A 553/4885CCNT1 1134/4885

“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.