SCHEMBL2765829

SCHEMBL2765829

CC1(c2ccccc2)CC1(NS(=O)(=O)c1ccc(-c2cccc(C(=O)O)c2)s1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 6/20 0.74
PFKFB3 Q16875 6/20 0.43
MMP1 P03956 3/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ESR1 P03372 1/20 0.39
ESRRG P62508 1/20 0.39
NQO2 P16083 1/20 0.37
MMP13 P45452 2/20 0.36
HSD17B2 P37059 1/20 0.35
KMO O15229 1/20 0.35

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
SCHEMBL2765831 1.00 ADAMTS5 (0.74) ADAMTS5PFKFB3MMP1MMP14ADAM17
SCHEMBL2765834 1.00 ADAMTS5 (0.74) ADAMTS5PFKFB3MMP1MMP14ADAM17
SCHEMBL2764639 0.88 ADAMTS5 (0.66) ADAMTS5MMP1MMP14ADAM17
SCHEMBL2764636 0.88 ADAMTS5 (0.66) ADAMTS5MMP1MMP14ADAM17
SCHEMBL2764644 0.88 ADAMTS5 (0.66) ADAMTS5MMP1MMP14ADAM17
SCHEMBL2763807 0.88 ADAMTS5 (0.74) ADAMTS5PFKFB3MMP1MMP14ADAM17
SCHEMBL2764153 0.87 ADAMTS5 (0.71) ADAMTS5PFKFB3MMP1MMP14ADAM17
SCHEMBL2764764 0.86 ADAMTS5 (0.80) ADAMTS5PFKFB3MMP1MMP14ADAM17
SCHEMBL2764425 0.86 ADAMTS5 (0.83) ADAMTS5MMP1MMP14ADAM17ESRRG
SCHEMBL2763471 0.86 ADAMTS5 (0.70) ADAMTS5PFKFB3MMP1MMP14ADAM17

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 38/4885PFKFB3 3212/4885MMP1 8/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ADAMTS5 38/4885PFKFB3 3213/4885MMP1 7/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885PFKFB3 3213/4885MMP1 7/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885PFKFB3 3296/4885MMP1 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.