SCHEMBL2764220

SCHEMBL2764220

O=C(O)[C@@]1(NS(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C[C@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 6/20 0.50
MMP14 P50281 1/20 0.50
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GCK P35557 1/20 0.43
SLC6A9 P48067 2/20 0.42
HTT P42858 1/20 0.41
MMP2 P08253 2/20 0.40
MMP13 P45452 2/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
AKR1C3 P42330 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL2764219 1.00 ADAMTS5 (0.50) ADAMTS5MMP14MAPK1CYP2C19CA12
SCHEMBL6058671 1.00 ADAMTS5 (0.50) ADAMTS5MMP14MAPK1CYP2C19CA12
SCHEMBL2763847 0.89 LMNA (0.48) MAPK1SLC6A9HTTGAANOTUM
SCHEMBL2763845 0.89 LMNA (0.48) MAPK1SLC6A9HTTGAANOTUM
SCHEMBL2766104 0.89 ADAMTS5 (0.53) ADAMTS5MMP14MAPK1CYP2C19TP53
SCHEMBL2766099 0.89 ADAMTS5 (0.53) ADAMTS5MMP14MAPK1CYP2C19TP53
SCHEMBL2763946 0.86 ADAMTS5 (0.66) ADAMTS5MMP14MAPK1CYP2C19THRB
SCHEMBL2763947 0.86 ADAMTS5 (0.66) ADAMTS5MMP14MAPK1CYP2C19THRB
SCHEMBL2765968 0.85 HTT (0.50) HTTGAA
SCHEMBL2765969 0.85 HTT (0.50) HTTGAA

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 13 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
JP-2007516982-A 2007-06-28 JP claimed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 US claimed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP claimed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO 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

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 ADAMTS5 38/4885MMP14 4/4885MAPK1 2135/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP14 4/4885MAPK1 2090/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP14 4/4885MAPK1 2090/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP14 4/4885MAPK1 2078/4885

“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.