SCHEMBL3316784

SCHEMBL3316784

CC(C)(C)OC(=O)C1(C(=O)O)C[C@]1(CO[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
BTN3A1 O00481 1/20 0.32
RORC P51449 1/20 0.31
TACR1 P25103 1/20 0.31
TSHR P16473 3/20 0.31
ALOX15 P16050 1/20 0.31
ATM Q13315 1/20 0.31
BCHE P06276 1/20 0.30
ABCB1 P08183 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
OPRM1 P35372 2/20 0.30

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
SCHEMBL13398146 1.00 TOP2A (0.39) TOP2AMEN1KMT2AOPRD1OPRK1
SCHEMBL3316787 1.00 TOP2A (0.39) TOP2AMEN1KMT2AOPRD1OPRK1
SCHEMBL2763713 0.81 ABCB1 (0.36) MEN1KMT2AOPRD1OPRK1RORC
SCHEMBL2763715 0.81 ABCB1 (0.36) MEN1KMT2AOPRD1OPRK1RORC
SCHEMBL7379460 0.71 MEN1 (0.38) MEN1KMT2AOPRD1OPRK1RORC
SCHEMBL2765724 0.70 MEN1 (0.40) MEN1KMT2A
SCHEMBL29544727 0.67 OPRD1 (0.35) OPRD1OPRK1ABCB1PDE4APDE4B
SCHEMBL26113125 0.67 OPRD1 (0.38) TOP2AOPRD1OPRK1TACR1ABCB1
SCHEMBL21788901 0.65 LMNA (0.42) TOP2AKMT2ABTN3A1TSHRLMNA
SCHEMBL2765720 0.65 MEN1 (0.42) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 US disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 US 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 (6 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 TOP2A 2647/4885MEN1 1376/4885KMT2A 2518/4885
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 TOP2A 1198/4885MEN1 1818/4885KMT2A 3146/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 TOP2A 1235/4885MEN1 1841/4885KMT2A 3165/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 TOP2A 2656/4885MEN1 1233/4885KMT2A 2446/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 TOP2A 1235/4885MEN1 1841/4885KMT2A 3165/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 TOP2A 1207/4885MEN1 1832/4885KMT2A 3074/4885

“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.