SCHEMBL850510

SCHEMBL850510

C=CCC(C(N)=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.38
MMP13 P45452 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL2968992 0.86 AAK1 (0.36) AAK1MMP13HDAC6HDAC1HDAC2
SCHEMBL2968987 0.86 AAK1 (0.36) AAK1MMP13HDAC6HDAC1HDAC2
SCHEMBL4702983 0.81 AAK1 (0.37) AAK1MMP13HDAC6HDAC1HDAC2
SCHEMBL6671538 0.81 AAK1 (0.34) AAK1MMP13HDAC6HDAC1HDAC2
SCHEMBL14842413 0.80 AAK1 (0.38) AAK1MMP13HDAC6HDAC1HDAC2
SCHEMBL12183575 0.80 AAK1 (0.38) AAK1MMP13HDAC6HDAC1HDAC2
SCHEMBL578889 0.79 AAK1 (0.35) AAK1MMP13HDAC6HDAC1HDAC2
SCHEMBL15208119 0.79 AAK1 (0.35) AAK1MMP13HDAC6HDAC1HDAC2
SCHEMBL618364 0.79 AAK1 (0.35) AAK1MMP13HDAC6HDAC1HDAC2
SCHEMBL27685428 0.78 AAK1 (0.34) AAK1MMP13HDAC6HDAC1HDAC2

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-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 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
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
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 (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 AAK1 2180/4885MMP13 2868/4885HDAC6 52/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 AAK1 2180/4885MMP13 2868/4885HDAC6 52/4885

“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.