SCHEMBL2764432

SCHEMBL2764432

O=C(O)[C@@]1(NS(=O)(=O)c2ccc(Cl)s2)C[C@H]1c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 11/20 0.72
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP1 P03956 2/20 0.44
MMP14 P50281 2/20 0.44
ADAM17 P78536 2/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5490600 1.00 ADAMTS5 (0.72) ADAMTS5MAPK1CYP2C19MMP1MMP14
SCHEMBL2764429 1.00 ADAMTS5 (0.72) ADAMTS5MAPK1CYP2C19MMP1MMP14
SCHEMBL2763922 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MMP1MMP14
SCHEMBL5495427 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19KMT2AMEN1
SCHEMBL2763985 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MMP1MMP14
SCHEMBL2763926 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MMP1MMP14
SCHEMBL5492303 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MMP1MMP14
SCHEMBL2763988 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MMP1MMP14
SCHEMBL2765101 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19KMT2AMEN1
SCHEMBL2765105 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19KMT2AMEN1

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 ADAMTS5 38/4885MAPK1 2135/4885CYP2C19 158/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ADAMTS5 38/4885MAPK1 2090/4885CYP2C19 159/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885MAPK1 2090/4885CYP2C19 159/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885MAPK1 2078/4885CYP2C19 170/4885

“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.