SCHEMBL880086

SCHEMBL880086

Cc1cc(C(=O)OC(C)(C)C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.39
PTH1R Q03431 6/20 0.39
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL851546 0.84 PTH1R (0.45) L3MBTL1ALDH1A1PTH1RLMNAMAPK1
SCHEMBL13065516 0.82 MAPT (0.38) L3MBTL1ALDH1A1MAPTLMNATP53
SCHEMBL880088 0.81 MAPT (0.38) L3MBTL1ALDH1A1MAPTLMNAMAPK1
SCHEMBL16359131 0.79 HPGD (0.34) L3MBTL1ALDH1A1MAPTLMNAKMT2A
SCHEMBL13065517 0.78 ATM (0.36) L3MBTL1MAPTMAPK1TP53KMT2A
SCHEMBL16358622 0.77 PTH1R (0.43) L3MBTL1ALDH1A1PTH1RMAPK1ATM
SCHEMBL850077 0.74 L3MBTL1 (0.50) L3MBTL1ALDH1A1PTH1RMAPTLMNA
SCHEMBL16359135 0.73 HPGD (0.33) L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL16302489 0.71 PTH1R (0.46) PTH1R
SCHEMBL851232 0.69 SRD5A1 (0.40) L3MBTL1ALDH1A1PTH1RLMNAKMT2A

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 7 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

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 L3MBTL1 4219/4885ALDH1A1 836/4885PTH1R 1869/4885

“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.