SCHEMBL671526

SCHEMBL671526

CC(C)n1cc(C=O)c2cc(-c3ccc(F)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.51
PGR P06401 1/20 0.40
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP19A1 P11511 1/20 0.36
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 1/20 0.36
XDH P47989 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL12182481 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL14957974 0.86 KDM4E (0.43) ALDH1A1KDM4EPGRKMT2AXDH
SCHEMBL670558 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EPTGDR2XDH
SCHEMBL670893 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EPGRKMT2AXDH
SCHEMBL14957286 0.82 PGR (0.44) ALDH1A1KDM4EPGRHTTSMN1; SMN2
SCHEMBL673549 0.81 SSTR5 (0.42) ALDH1A1KDM4EPGRKMT2AXDH
SCHEMBL671605 0.77 PDE4B (0.46) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL28587918 0.75 XDH (0.40) ALDH1A1KDM4EKMT2AXDHMEN1
SCHEMBL1787498 0.74 ALDH1A1 (0.55) ALDH1A1KDM4E
SCHEMBL28613228 0.73 NR3C1 (0.40) ALDH1A1KDM4EPGRSMN1; SMN2MAPT

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 5 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
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
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 ALDH1A1 1467/4885KDM4E 4514/4885PGR 466/4885

“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.