SCHEMBL2764112

SCHEMBL2764112

O=C(O)[C@@]1(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C[C@H]1c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 6/20 0.78
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MMP2 P08253 13/20 0.46
▸ MMP9 P14780 10/20 0.46
▸ MMP1 P03956 9/20 0.46
▸ MMP3 P08254 9/20 0.46
▸ MMP7 P09237 9/20 0.46
▸ MMP13 P45452 9/20 0.46
▸ MMP14 P50281 2/20 0.41
▸ MMP8 P22894 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ MEP1B Q16820 1/20 0.39

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
SCHEMBL2764111 1.00 ADAMTS5 (0.78) ADAMTS5MAPK1CYP2C19MMP2MMP9
SCHEMBL5492288 1.00 ADAMTS5 (0.78) ADAMTS5MAPK1CYP2C19MMP2MMP9
SCHEMBL2764182 0.92 ADAMTS5 (0.86) ADAMTS5MAPK1CYP2C19MMP2MMP9
SCHEMBL2764179 0.92 ADAMTS5 (0.86) ADAMTS5MAPK1CYP2C19MMP2MMP9
SCHEMBL6058646 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764374 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764561 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL13398332 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2765163 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2
SCHEMBL2764668 0.88 ADAMTS5 (1.00) ADAMTS5MAPK1CYP2C19MMP2

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.

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