SCHEMBL880124

SCHEMBL880124

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
HTT P42858 1/20 0.35
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR2 P34972 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
PDK2 Q15119 1/20 0.31
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 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
SCHEMBL879965 0.88 ALDH1A1 (0.38) ALDH1A1HTTGAACNR2POLB
SCHEMBL880128 0.85 ALDH1A1 (0.36) ALDH1A1HTTGAACYP3A4CYP2C19
SCHEMBL850955 0.83 CRBN (0.35) ALDH1A1HTTPOLB
SCHEMBL850956 0.83 CRBN (0.35) ALDH1A1HTTPOLB
SCHEMBL13064741 0.80 CNR2 (0.41) ALDH1A1HTTCNR2POLBATM
SCHEMBL13065265 0.80 KMT2A (0.39) ALDH1A1HTTCNR2POLBATM
SCHEMBL851392 0.79 PTH1R (0.36) POLBKMT2AHTR1A
SCHEMBL851391 0.79 PTH1R (0.36) POLBKMT2AHTR1A
SCHEMBL880019 0.79 PDK2 (0.37) ALDH1A1HTTGAACNR2POLB
SCHEMBL848955 0.78 PTH1R (0.33) HTR1A

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-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
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 1584/4885GAA 4027/4885

“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.