SCHEMBL2763845

SCHEMBL2763845

O=C(O)C1(NS(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
POLB P06746 4/20 0.47
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 3/20 0.45
SLC6A9 P48067 1/20 0.44
MCOLN2 Q8IZK6 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MCOLN1 Q9GZU1 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
NOTUM Q6P988 1/20 0.43
GBA1 P04062 1/20 0.43
SMPD1 P17405 1/20 0.43

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
SCHEMBL2763847 1.00 LMNA (0.48) LMNAHTTPOLBKMT2AMAPT
SCHEMBL2764220 0.89 ADAMTS5 (0.50) HTTGAASLC6A9MAPK1NOTUM
SCHEMBL2764219 0.89 ADAMTS5 (0.50) HTTGAASLC6A9MAPK1NOTUM
SCHEMBL6058671 0.89 ADAMTS5 (0.50) HTTGAASLC6A9MAPK1NOTUM
SCHEMBL2764714 0.86 ADAMTS5 (0.53) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL2764718 0.86 ADAMTS5 (0.53) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL2764232 0.84 ADAMTS5 (0.48) LMNAKMT2AMAPTMEN1SLC6A9
SCHEMBL6058788 0.84 ADAMTS5 (0.48) LMNAKMT2AMAPTMEN1SLC6A9
SCHEMBL2764235 0.84 ADAMTS5 (0.48) LMNAKMT2AMAPTMEN1SLC6A9
SCHEMBL2766099 0.82 ADAMTS5 (0.53) LMNAPOLBKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP claimed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US claimed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US claimed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 US claimed
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 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-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 LMNA 2380/4885HTT 965/4885POLB 3144/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 LMNA 2414/4885HTT 977/4885POLB 3179/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 LMNA 2414/4885HTT 977/4885POLB 3179/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 LMNA 2352/4885HTT 985/4885POLB 3102/4885

“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.