SCHEMBL2765670

SCHEMBL2765670

CC(C)(C)OC(=O)N[C@]1(C(=O)OC(C)(C)C)C[C@]1(CO)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ATM Q13315 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
AKT1 P31749 2/20 0.36
CTSS P25774 5/20 0.35
CTSL P07711 3/20 0.35
CTSB P07858 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CTSK P43235 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL2765398 1.00 CA12 (0.37) CA12CA1CA7CA14ATM
SCHEMBL2765396 1.00 CA12 (0.37) CA12CA1CA7CA14ATM
SCHEMBL5945592 1.00 CA12 (0.37) CA12CA1CA7CA14ATM
SCHEMBL6058378 1.00 CA12 (0.37) CA12CA1CA7CA14ATM
SCHEMBL6371059 0.86 CA12 (0.39) CA12CA1CA7CA14ATM
SCHEMBL6371054 0.86 CA12 (0.39) CA12CA1CA7CA14ATM
SCHEMBL8286273 0.84 AKT1 (0.34) CA12CA1CA7CA14ATM
SCHEMBL8284456 0.84 CA12 (0.38) CA12CA1CA7CA14ATM
SCHEMBL13991402 0.83 AKT1 (0.34) CA12CA1CA7CA14ATM
SCHEMBL8284455 0.81 CD274 (0.39) DPP8DPP9KMT2AMEN1NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 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
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 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 (6 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 CA12 33/4885CA1 37/4885CA7 123/4885
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 CA12 26/4885CA1 39/4885CA7 70/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 CA12 26/4885CA1 39/4885CA7 71/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 CA12 33/4885CA1 34/4885CA7 101/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 CA12 26/4885CA1 39/4885CA7 71/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 CA12 26/4885CA1 39/4885CA7 71/4885

“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.