SCHEMBL851160

SCHEMBL851160

Cc1cc(C(=O)OC(C)(C)C)ccc1CCS(=O)(=O)N1CCC(C#N)(NC(=O)c2cc(OCc3ccccc3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.35
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
SLC6A5 Q9Y345 1/20 0.33
PRKD3 O94806 1/20 0.33
S1PR1 P21453 1/20 0.33
CDK7 P50613 1/20 0.33
JAK3 P52333 1/20 0.33
TNK2 Q07912 1/20 0.33
S1PR5 Q9H228 1/20 0.33
RXRA P19793 4/20 0.33
NR1H2 P55055 4/20 0.33
NR1H3 Q13133 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR1 P25103 2/20 0.32
CTSS P25774 1/20 0.32
CETP P11597 1/20 0.32
KIT P10721 1/20 0.32
ADAM17 P78536 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL850969 0.93 SLC6A5 (0.37) GCKRAF1BRAFSLC6A5PRKD3
SCHEMBL848852 0.90 GCK (0.35) GCKRAF1BRAFSLC6A5PRKD3
SCHEMBL850184 0.80 PTH1R (0.45) RAF1BRAFPRKD3S1PR1CDK7
SCHEMBL16358785 0.79 PTH1R (0.36) RAF1BRAFPRKD3S1PR1CDK7
SCHEMBL16302628 0.79 PTH1R (0.36) RAF1BRAFPRKD3S1PR1CDK7
SCHEMBL851594 0.78 PTH1R (0.35) GCKRAF1BRAFPRKD3S1PR1
SCHEMBL17215270 0.76 PTH1R (0.45) RXRANR1H2NR1H3TACR1
SCHEMBL13551784 0.70 TACR1 (0.51) TACR1CTSSACSS2
SCHEMBL851141 0.69 PTH1R (0.47) TACR1CETPADAM17
SCHEMBL851232 0.68 SRD5A1 (0.40) L3MBTL1

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 12 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
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
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 GCK 1403/4885RAF1 332/4885BRAF 1339/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 GCK 1403/4885RAF1 332/4885BRAF 1339/4885

“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.