SCHEMBL671605

SCHEMBL671605

CC(C)n1cc(C=O)c2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
KRAS P01116 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2A6 P11509 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ERN1 O75460 2/20 0.39
PTPN1 P18031 1/20 0.38
IMPDH2 P12268 1/20 0.36
MITF O75030 1/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
SSTR5 P35346 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 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
SCHEMBL670294 0.88 CYP2A6 (0.41) PDE4BALDH1A1KDM4ECYP19A1CYP2A6
SCHEMBL12182481 0.81 ALDH1A1 (0.65) ALDH1A1KDM4ECYP19A1MEN1KMT2A
SCHEMBL23497546 0.81 PTPN1 (0.41) PDE4BALDH1A1CYP2A6MEN1KMT2A
SCHEMBL29744434 0.81 PTPN1 (0.41) PDE4BALDH1A1CYP2A6MEN1KMT2A
SCHEMBL672433 0.79 ALDH1A1 (0.38) PDE4BALDH1A1KDM4ECYP2A6MEN1
SCHEMBL1787498 0.79 ALDH1A1 (0.55) PDE4BALDH1A1KDM4EERN1
SCHEMBL5437254 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EKRASCYP19A1CYP2A6
SCHEMBL28613228 0.78 NR3C1 (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1871346 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2AIMPDH2
SCHEMBL13619987 0.76 KRAS (0.47) ALDH1A1KDM4EKRASRAB9ASMN1; SMN2

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 9 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
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 PDE4B 1140/4885ALDH1A1 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.