SCHEMBL13064643

SCHEMBL13064643

CC(=O)OCCN(C(C)=O)c1ccc(CCS)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.40
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TKT P29401 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FOLH1 Q04609 1/20 0.31
HTT P42858 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
SCHEMBL16357890 0.85 RAD52 (0.36) RAD52LMNAPKMNPSR1TSHR
SCHEMBL850370 0.83 RAD52 (0.34) RAD52LMNAPKMNPSR1TSHR
SCHEMBL13551881 0.80 RAD52 (0.37) RAD52LMNAPKMNPSR1TSHR
SCHEMBL13551890 0.79 GAA (0.33)
SCHEMBL849049 0.79 PKM (0.46) RAD52LMNAPKMNPSR1TSHR
SCHEMBL16104714 0.79 RAD52 (0.37) RAD52LMNAPKMNPSR1TSHR
SCHEMBL13064644 0.76 LMNA (0.37) RAD52LMNAPKMNPSR1TSHR
SCHEMBL879935 0.75 PKM (0.42) RAD52LMNAPKMNPSR1TSHR
SCHEMBL850114 0.74 RAD52 (0.40) RAD52LMNAPKMNPSR1TSHR
SCHEMBL16104708 0.72 RAD52 (0.38) RAD52LMNAPKMNPSR1TSHR

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 8 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
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-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
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 RAD52 3894/4885LMNA 2006/4885PKM 598/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 RAD52 3894/4885LMNA 2006/4885PKM 598/4885

“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.