SCHEMBL851027

SCHEMBL851027

Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 3/20 0.33
TP53 P04637 2/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL851028 1.00 MAPK1 (0.34) MAPK1ATMNPC1RAB9APOLB
SCHEMBL13065517 0.84 ATM (0.36) MAPK1ATMNPC1RAB9APOLB
SCHEMBL16358621 0.82 MAPK1 (0.41) MAPK1ATMNPC1RAB9APOLB
SCHEMBL851546 0.80 PTH1R (0.45) MAPK1ATMPOLBLMNASMN1; SMN2
SCHEMBL851419 0.79 POLB (0.33) MAPK1ATMNPC1RAB9APOLB
SCHEMBL851420 0.79 SMN1; SMN2 (0.35) MAPK1POLBTP53KMT2AMAPT
SCHEMBL13064722 0.79 SMN1; SMN2 (0.36) MAPK1ATMNPC1RAB9APOLB
SCHEMBL849970 0.79 PTH1R (0.34) MAPK1ATMNPC1RAB9APOLB
SCHEMBL850355 0.75 POLB (0.33) MAPK1ATMPOLBTP53MAPT
SCHEMBL851047 0.75 PTH1R (0.58)

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 13 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-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
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
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
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 (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 MAPK1 817/4885ATM 719/4885NPC1 1102/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 MAPK1 817/4885ATM 719/4885NPC1 1102/4885

“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.