SCHEMBL673549

SCHEMBL673549

CC(C)n1cc(C=O)c2cc(-c3ccc(F)c(F)c3F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PGR P06401 3/20 0.34
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GRIN2B Q13224 3/20 0.32
XDH P47989 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MITF O75030 1/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 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
SCHEMBL670893 0.85 ALDH1A1 (0.42) SSTR5ALDH1A1KDM4EPGRNR3C1
SCHEMBL14957286 0.84 PGR (0.44) ALDH1A1KDM4EPGRALOX5APFEN1
SCHEMBL14957974 0.84 KDM4E (0.43) ALDH1A1KDM4EPGRNR3C1NR3C2
SCHEMBL671526 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EPGRXDHMEN1
SCHEMBL12182481 0.77 ALDH1A1 (0.65) ALDH1A1KDM4EARMEN1KMT2A
SCHEMBL670558 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EXDHFFAR4
SCHEMBL672434 0.74 SSTR5 (0.41) SSTR5ALDH1A1MEN1KMT2AMITF
SCHEMBL671605 0.72 PDE4B (0.46) SSTR5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28587918 0.70 XDH (0.40) ALDH1A1KDM4EXDHMEN1KMT2A
SCHEMBL1787498 0.70 ALDH1A1 (0.55) ALDH1A1KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 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-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 SSTR5 1/4885ALDH1A1 1467/4885KDM4E 4514/4885

“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.