SCHEMBL880100

SCHEMBL880100

O=S(=O)(CCc1cccc2ccccc12)N1CC(O)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.50
TSHR P16473 1/20 0.45
NQO2 P16083 1/20 0.43
TACR1 P25103 1/20 0.42
SLC18A2 Q05940 1/20 0.41
MTNR1A P48039 2/20 0.40
HRH3 Q9Y5N1 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL880097 0.80 TAOK1 (0.49) TAOK1NQO2TACR1SLC18A2MTNR1A
SCHEMBL850304 0.78 TAOK1 (0.53) TAOK1TSHRNQO2TACR1SLC18A2
SCHEMBL13555067 0.76 TACR1 (0.52) TAOK1NQO2TACR1MTNR1ACA2
SCHEMBL851280 0.76 TAOK1 (0.48) TAOK1NQO2TACR1MTNR1ATDP1
SCHEMBL31078221 0.74 NQO2 (0.54) NQO2MTNR1ATDP1CA2
SCHEMBL497025 0.74 NQO2 (0.54) NQO2MTNR1ATDP1CA2
SCHEMBL13553917 0.73 TAOK1 (0.44) TAOK1NQO2TACR1SLC18A2MTNR1A
SCHEMBL848794 0.71 TACR1 (0.48) TAOK1NQO2TACR1MTNR1ACA2
SCHEMBL6511791 0.71 NQO2 (0.54) NQO2MTNR1ATDP1CA2
SCHEMBL5513121 0.71 CA2 (0.57) NQO2MTNR1ATDP1CA2

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 TAOK1 915/4885TSHR 914/4885NQO2 335/4885

“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.