SCHEMBL879965

SCHEMBL879965

Cc1cc(C(=O)N2CCC(C)(O)CC2)cc(C)c1/C=C/S(=O)(=O)N1CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HTT P42858 1/20 0.38
GRM3 Q14832 1/20 0.35
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
PKLR P30613 1/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 3/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
VNN1 O95497 1/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL880124 0.88 ALDH1A1 (0.35) ALDH1A1HTTCNR2POLBATM
SCHEMBL848388 0.84 ALDH1A1 (0.38) ALDH1A1HTTGRM3CNR2POLB
SCHEMBL848387 0.84 ALDH1A1 (0.38) ALDH1A1HTTGRM3CNR2POLB
SCHEMBL13064741 0.83 CNR2 (0.41) ALDH1A1HTTGRM3CNR2POLB
SCHEMBL880019 0.82 PDK2 (0.37) ALDH1A1HTTCNR2POLBATM
SCHEMBL850418 0.81 CRBN (0.37) ALDH1A1HTTGRM3CNR2POLB
SCHEMBL850417 0.81 CRBN (0.37) ALDH1A1HTTGRM3CNR2POLB
SCHEMBL13065265 0.81 KMT2A (0.39) ALDH1A1HTTCNR2POLBATM
SCHEMBL13065263 0.80 PKM (0.43) ALDH1A1HTTGAAKMT2APKM
SCHEMBL849261 0.77 GPR183 (0.36) ALDH1A1HTTPOLBPKLRKMT2A

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 10 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
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 (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 ALDH1A1 836/4885HTT 1584/4885GRM3 627/4885

“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.