SCHEMBL2764536

SCHEMBL2764536

C[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 11/20 1.00
MMP1 P03956 4/20 0.58
MMP14 P50281 2/20 0.58
ADAM17 P78536 2/20 0.58
DRD2 P14416 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 1/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
CNR1 P21554 1/20 0.36
MMP13 P45452 4/20 0.35
MMP3 P08254 2/20 0.35
ADAMTS4 O75173 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
SCHEMBL2765353 1.00 ADAMTS5 (1.00) ADAMTS5MMP1MMP14ADAM17DRD2
SCHEMBL6058564 1.00 ADAMTS5 (1.00) ADAMTS5MMP1MMP14ADAM17DRD2
SCHEMBL2765356 1.00 ADAMTS5 (1.00) ADAMTS5MMP1MMP14ADAM17DRD2
SCHEMBL2763531 0.91 ADAMTS5 (0.83) ADAMTS5MMP1MMP14ADAM17DRD2
SCHEMBL2764425 0.91 ADAMTS5 (0.83) ADAMTS5MMP1MMP14ADAM17MMP2
SCHEMBL2766235 0.90 ADAMTS5 (0.81) ADAMTS5MMP1MMP14ADAM17MMP2
SCHEMBL2766304 0.90 ADAMTS5 (0.81) ADAMTS5MMP1MMP14ADAM17MMP2
SCHEMBL2766302 0.90 ADAMTS5 (0.81) ADAMTS5MMP1MMP14ADAM17MMP2
SCHEMBL2764764 0.89 ADAMTS5 (0.80) ADAMTS5MMP1MMP14ADAM17MMP2
SCHEMBL2763991 0.88 ADAMTS5 (0.79) ADAMTS5MMP1MMP14ADAM17DRD2

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 38/4885MMP1 8/4885MMP14 4/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP1 7/4885MMP14 4/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP1 7/4885MMP14 4/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP1 7/4885MMP14 4/4885

“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.