SCHEMBL848201

SCHEMBL848201

O=S(=O)(c1ccc(Br)c(C(F)(F)F)c1)N(CCO)CCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
VCAM1 P19320 1/20 0.46
ESR1 P03372 1/20 0.46
MMP1 P03956 3/20 0.43
MMP7 P09237 3/20 0.43
MMP8 P22894 3/20 0.43
MMP12 P39900 3/20 0.43
MMP13 P45452 3/20 0.43
RAF1 P04049 1/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
SERPINE1 P05121 1/20 0.36
KIF11 P52732 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL847830 0.86 KMT2A (0.50) VCAM1ESR1GAAMAPTMEN1
SCHEMBL30288807 0.77 MAPT (0.55) SMN1; SMN2VCAM1ESR1KIF11MAPT
SCHEMBL20765376 0.77 MAPT (0.55) SMN1; SMN2VCAM1ESR1KIF11MAPT
SCHEMBL28450717 0.74 KIF11 (0.41) SMN1; SMN2ESR1NPC1KIF11MAPT
Hydrochloric Acid SCHEMBL28168259 0.73 MAPT (0.41) SMN1; SMN2ESR1NPC1KIF11MAPT
SCHEMBL2835133 0.73 SMN1; SMN2 (0.68) SMN1; SMN2VCAM1MMP1MMP7MMP8
SCHEMBL1541448 0.73 KIF11 (0.51) KIF11
SCHEMBL29913597 0.73 KIF11 (0.51) KIF11
SCHEMBL14478168 0.72 KIF11 (0.50) SMN1; SMN2ESR1NPC1KIF11MAPT
SCHEMBL67658 0.72 KIF11 (0.39) SMN1; SMN2ESR1NPC1KIF11MAPT

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 15 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
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
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 (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 SMN1; SMN2 1005/4885VCAM1 3750/4885ESR1 2016/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 SMN1; SMN2 1005/4885VCAM1 3750/4885ESR1 2016/4885

“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.