SCHEMBL849488

SCHEMBL849488

Cc1cc(C(=O)N2CC(O)C2)cc(C)c1/C=C/S(=O)(=O)N1CCC(N)(C(N)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
ALDH1A1 P00352 7/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR7 P34969 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CNR2 P34972 1/20 0.32
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.30
YAP1 P46937 1/20 0.30
TEAD4 Q15561 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
SCHEMBL849489 1.00 PDK2 (0.36) PDK2ALDH1A1HTTUSP2RECQL
SCHEMBL849322 0.91 ALDH1A1 (0.38) ALDH1A1HTTUSP2RECQLHSP90AA1
SCHEMBL849321 0.91 ALDH1A1 (0.38) ALDH1A1HTTUSP2RECQLHSP90AA1
SCHEMBL848387 0.86 ALDH1A1 (0.38) ALDH1A1HTTUSP2RECQLGAA
SCHEMBL848388 0.86 ALDH1A1 (0.38) ALDH1A1HTTUSP2RECQLGAA
SCHEMBL849938 0.84 ALDH1A1 (0.38) ALDH1A1HTTUSP2RECQLGAA
SCHEMBL849939 0.84 ALDH1A1 (0.38) ALDH1A1HTTUSP2RECQLGAA
SCHEMBL880128 0.82 ALDH1A1 (0.36) ALDH1A1HTTUSP2RECQLGAA
SCHEMBL880019 0.82 PDK2 (0.37) PDK2ALDH1A1HTTUSP2HSP90AA1
SCHEMBL16358759 0.81 PDK2 (0.38) PDK2ALDH1A1HSP90AA1HSP90AB1HTR7

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 14 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-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
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
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 PDK2 737/4885ALDH1A1 836/4885HTT 1584/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PDK2 737/4885ALDH1A1 836/4885HTT 1584/4885

“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.