SCHEMBL670558

SCHEMBL670558

CC(C)n1cc(C=O)c2cc(-c3ccc(F)nc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.40
DYRK1A Q13627 1/20 0.38
XDH P47989 1/20 0.36
GRIA2 P42262 2/20 0.36
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ERN1 O75460 1/20 0.34
SYK P43405 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CYP11B2 P19099 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NPY5R Q15761 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
SCHEMBL671526 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EXDHPTGDR2
SCHEMBL14957974 0.81 KDM4E (0.43) ALDH1A1KDM4EXDHERN1FFAR4
SCHEMBL12182481 0.80 ALDH1A1 (0.65) ALDH1A1KDM4EPTGDR2
SCHEMBL670893 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EXDHFFAR4
SCHEMBL14957286 0.77 PGR (0.44) ALDH1A1KDM4EERN1
SCHEMBL670862 0.76 CYP3A4 (0.34) ALDH1A1ATMDYRK1AGRIA2MMP2
SCHEMBL673549 0.76 SSTR5 (0.42) ALDH1A1KDM4EXDHFFAR4
SCHEMBL28587918 0.72 XDH (0.40) ALDH1A1KDM4EXDH
SCHEMBL671605 0.72 PDE4B (0.46) ALDH1A1KDM4EERN1
SCHEMBL28890424 0.71 XDH (0.44) XDH

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 4514/4885ATM 1068/4885

“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.