SCHEMBL2764644

SCHEMBL2764644

CCOC(=O)c1cccc(-c2ccc(S(=O)(=O)N[C@@]3(C(=O)O)C[C@@]3(C)c3ccccc3)s2)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 6/20 0.66
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
PRF1 P14222 1/20 0.39
MAPT P10636 3/20 0.39
MMP1 P03956 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2764639 1.00 ADAMTS5 (0.66) ADAMTS5CACNA1BAPBA1PRF1MAPT
SCHEMBL2764636 1.00 ADAMTS5 (0.66) ADAMTS5CACNA1BAPBA1PRF1MAPT
SCHEMBL2765829 0.88 ADAMTS5 (0.74) ADAMTS5MMP1MMP14ADAM17
SCHEMBL2765834 0.88 ADAMTS5 (0.74) ADAMTS5MMP1MMP14ADAM17
SCHEMBL2765831 0.88 ADAMTS5 (0.74) ADAMTS5MMP1MMP14ADAM17
SCHEMBL2763807 0.83 ADAMTS5 (0.74) ADAMTS5PRF1MMP1MMP14ADAM17
SCHEMBL2763973 0.82 ADAMTS5 (0.67) ADAMTS5MMP1MMP14ADAM17
SCHEMBL2764153 0.81 ADAMTS5 (0.71) ADAMTS5MAPTMMP1MMP14ADAM17
SCHEMBL2764764 0.81 ADAMTS5 (0.80) ADAMTS5MAPTMMP1MMP14ADAM17
SCHEMBL2764425 0.80 ADAMTS5 (0.83) ADAMTS5MMP1MMP14ADAM17

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 10 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

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 38/4885CACNA1B 2073/4885APBA1 1757/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ADAMTS5 38/4885CACNA1B 2045/4885APBA1 1769/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885CACNA1B 2045/4885APBA1 1769/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885CACNA1B 1983/4885APBA1 1767/4885

“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.