SCHEMBL2765969

SCHEMBL2765969

O=C(O)[C@@]1(NS(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.50
CXCR3 P49682 2/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD11B1 P28845 7/20 0.46
HSD11B2 P80365 3/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
ABL1 P00519 1/20 0.44

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
SCHEMBL2765968 1.00 HTT (0.50) HTTLMNAMAPTSMN1; SMN2PKM
SCHEMBL5494944 1.00 HTT (0.50) HTTLMNAMAPTSMN1; SMN2PKM
SCHEMBL2764219 0.85 ADAMTS5 (0.50) HTTGAA
SCHEMBL2764220 0.85 ADAMTS5 (0.50) HTTGAA
SCHEMBL6058671 0.85 ADAMTS5 (0.50) HTTGAA
SCHEMBL2764658 0.82 ADAMTS5 (0.61) HTTLMNAMAPTSMN1; SMN2PKM
SCHEMBL14208352 0.82 ADAMTS5 (0.61) HTTLMNAMAPTSMN1; SMN2PKM
SCHEMBL13398264 0.82 ADAMTS5 (0.61) HTTLMNAMAPTSMN1; SMN2PKM
SCHEMBL2763845 0.81 LMNA (0.48) HTTLMNAMAPTKDM4EALDH1A1
SCHEMBL2763847 0.81 LMNA (0.48) HTTLMNAMAPTKDM4EALDH1A1

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 12 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
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-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-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 US disclosed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 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 (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 HTT 965/4885LMNA 2380/4885MAPT 3895/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 HTT 977/4885LMNA 2414/4885MAPT 3899/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 HTT 977/4885LMNA 2414/4885MAPT 3899/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 HTT 985/4885LMNA 2352/4885MAPT 3886/4885

“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.