SCHEMBL2763471

SCHEMBL2763471

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

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 6/20 0.70
HSD17B1 P14061 4/20 0.48
HSD17B2 P37059 4/20 0.48
PFKFB3 Q16875 6/20 0.42
NQO2 P16083 1/20 0.42
MMP1 P03956 1/20 0.40
MMP14 P50281 1/20 0.40
ADAM17 P78536 1/20 0.40
RORC P51449 1/20 0.39
PFKFB4 Q16877 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
PRF1 P14222 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
SCHEMBL2764153 0.90 ADAMTS5 (0.71) ADAMTS5HSD17B1HSD17B2PFKFB3NQO2
SCHEMBL2763807 0.86 ADAMTS5 (0.74) ADAMTS5PFKFB3NQO2MMP1MMP14
SCHEMBL2765834 0.86 ADAMTS5 (0.74) ADAMTS5HSD17B2PFKFB3NQO2MMP1
SCHEMBL2765831 0.86 ADAMTS5 (0.74) ADAMTS5HSD17B2PFKFB3NQO2MMP1
SCHEMBL2765829 0.86 ADAMTS5 (0.74) ADAMTS5HSD17B2PFKFB3NQO2MMP1
SCHEMBL2764425 0.83 ADAMTS5 (0.83) ADAMTS5MMP1MMP14ADAM17
SCHEMBL2766304 0.82 ADAMTS5 (0.81) ADAMTS5NQO2MMP1MMP14ADAM17
SCHEMBL2765356 0.82 ADAMTS5 (1.00) ADAMTS5MMP1MMP14ADAM17
SCHEMBL2765803 0.82 ADAMTS5 (0.78) ADAMTS5PFKFB3MMP1MMP14ADAM17
SCHEMBL2766235 0.82 ADAMTS5 (0.81) ADAMTS5NQO2MMP1MMP14ADAM17

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 19 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
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
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 38/4885HSD17B1 456/4885HSD17B2 417/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ADAMTS5 38/4885HSD17B1 445/4885HSD17B2 418/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885HSD17B1 445/4885HSD17B2 418/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885HSD17B1 450/4885HSD17B2 432/4885

“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.