SCHEMBL2763807

SCHEMBL2763807

C[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-c2cccc(N)c2)s1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 7/20 0.74
HPGDS O60760 1/20 0.43
MMP1 P03956 4/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
ESR1 P03372 2/20 0.37
ESRRG P62508 2/20 0.37
ESR2 Q92731 2/20 0.37
NQO2 P16083 1/20 0.37
MMP13 P45452 3/20 0.36
PRF1 P14222 1/20 0.35
PTPN1 P18031 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
PFKFB3 Q16875 3/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL2766304 0.91 ADAMTS5 (0.81) ADAMTS5MMP1MMP14ADAM17NQO2
SCHEMBL2766302 0.91 ADAMTS5 (0.81) ADAMTS5MMP1MMP14ADAM17NQO2
SCHEMBL2766235 0.91 ADAMTS5 (0.81) ADAMTS5MMP1MMP14ADAM17NQO2
SCHEMBL2765831 0.88 ADAMTS5 (0.74) ADAMTS5MMP1MMP14ADAM17ESR1
SCHEMBL2765829 0.88 ADAMTS5 (0.74) ADAMTS5MMP1MMP14ADAM17ESR1
SCHEMBL2765834 0.88 ADAMTS5 (0.74) ADAMTS5MMP1MMP14ADAM17ESR1
SCHEMBL2764153 0.87 ADAMTS5 (0.71) ADAMTS5MMP1MMP14ADAM17NQO2
SCHEMBL2764425 0.86 ADAMTS5 (0.83) ADAMTS5MMP1MMP14ADAM17ESRRG
SCHEMBL2765207 0.86 ADAMTS5 (0.76) ADAMTS5MMP1MMP14ADAM17MMP13
SCHEMBL13398295 0.86 ADAMTS5 (0.76) ADAMTS5MMP1MMP14ADAM17MMP13

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 16 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
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-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-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 38/4885HPGDS 637/4885MMP1 8/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ADAMTS5 38/4885HPGDS 657/4885MMP1 7/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885HPGDS 657/4885MMP1 7/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885HPGDS 675/4885MMP1 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.