SCHEMBL2764751

SCHEMBL2764751

O=C(O)[C@@]1(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C[C@H]1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 8/20 0.69
MMP13 P45452 9/20 0.49
MMP1 P03956 4/20 0.49
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
MMP2 P08253 8/20 0.45
MMP14 P50281 7/20 0.45
ADAMTS4 O75173 2/20 0.45
MEP1B Q16820 1/20 0.45
MMP9 P14780 6/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP3 P08254 2/20 0.43
MMP7 P09237 1/20 0.43
PGR P06401 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
SCHEMBL2764745 1.00 ADAMTS5 (0.69) ADAMTS5MMP13MMP1MAPK1CYP2C19
SCHEMBL2767038 0.89 ADAMTS5 (0.58) ADAMTS5MMP13MMP1MAPK1CYP2C19
SCHEMBL2767039 0.89 ADAMTS5 (0.58) ADAMTS5MMP13MMP1MAPK1CYP2C19
SCHEMBL2765456 0.89 ADAMTS5 (0.82) ADAMTS5MMP13MMP1ADAMTS4BCL2L1
SCHEMBL2765459 0.89 ADAMTS5 (0.82) ADAMTS5MMP13MMP1ADAMTS4BCL2L1
SCHEMBL2765672 0.86 ADAMTS5 (0.67) ADAMTS5MMP13MMP1MAPK1CYP2C19
SCHEMBL2764736 0.86 ADAMTS5 (0.53) ADAMTS5MMP13MMP1MAPK1CYP2C19
SCHEMBL2765673 0.86 ADAMTS5 (0.67) ADAMTS5MMP13MMP1MAPK1CYP2C19
SCHEMBL2764732 0.86 ADAMTS5 (0.53) ADAMTS5MMP13MMP1MAPK1CYP2C19
SCHEMBL2763696 0.86 ADAMTS5 (0.73) ADAMTS5MMP13MMP1MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ADAMTS5 38/4885MMP13 1/4885MMP1 8/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP13 1/4885MMP1 7/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP13 1/4885MMP1 7/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP13 1/4885MMP1 7/4885

“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.