SCHEMBL2764235

SCHEMBL2764235

O=C(O)[C@@]1(NS(=O)(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C[C@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 4/20 0.48
MMP14 P50281 1/20 0.48
SLC6A9 P48067 1/20 0.47
NOTUM Q6P988 8/20 0.46
GRIN2B Q13224 2/20 0.42
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2764232 1.00 ADAMTS5 (0.48) ADAMTS5MMP14SLC6A9NOTUMGRIN2B
SCHEMBL6058788 1.00 ADAMTS5 (0.48) ADAMTS5MMP14SLC6A9NOTUMGRIN2B
SCHEMBL6058671 0.85 ADAMTS5 (0.50) ADAMTS5MMP14SLC6A9NOTUMCYP2C19
SCHEMBL2764219 0.85 ADAMTS5 (0.50) ADAMTS5MMP14SLC6A9NOTUMCYP2C19
SCHEMBL2764220 0.85 ADAMTS5 (0.50) ADAMTS5MMP14SLC6A9NOTUMCYP2C19
SCHEMBL2763847 0.84 LMNA (0.48) SLC6A9NOTUMLMNAMEN1KMT2A
SCHEMBL2763845 0.84 LMNA (0.48) SLC6A9NOTUMLMNAMEN1KMT2A
SCHEMBL2764718 0.84 ADAMTS5 (0.53) ADAMTS5MMP14SMN1; SMN2LMNAMEN1
SCHEMBL2764714 0.84 ADAMTS5 (0.53) ADAMTS5MMP14SMN1; SMN2LMNAMEN1
SCHEMBL2763946 0.83 ADAMTS5 (0.66) ADAMTS5MMP14LMNAMEN1CYP2C19

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 38/4885MMP14 4/4885SLC6A9 1166/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP14 4/4885SLC6A9 1197/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP14 4/4885SLC6A9 1197/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ADAMTS5 38/4885MMP14 4/4885SLC6A9 1191/4885

“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.