SCHEMBL2764401

SCHEMBL2764401

CCOC(=O)C(C(=O)OCC)C(C)(CSC)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 5/20 0.38
CYP1A2 P05177 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
KDM4E B2RXH2 5/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK14 Q16539 1/20 0.36
CASP3 P42574 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 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
SCHEMBL13398120 0.81 EPHX2 (0.40) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL8253229 0.79 MAPT (0.44) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL18112130 0.75 MAPT (0.43) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL1508041 0.74 MAPT (0.44) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL14155056 0.73 MAPT (0.39) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL27669587 0.73 MAPT (0.39) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL1626505 0.71 CYP3A4 (0.48) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL1626934 0.71 MAPT (0.42) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL29571281 0.71 EPHX2 (0.43) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL2765094 0.70 KMT2A (0.36) MAPTMEN1KMT2ANPSR1GAA

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 18 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
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
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-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-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-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
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 MAPT 3895/4885MEN1 1818/4885KMT2A 3146/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 MAPT 3899/4885MEN1 1841/4885KMT2A 3165/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 MAPT 3899/4885MEN1 1841/4885KMT2A 3165/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 MAPT 3886/4885MEN1 1832/4885KMT2A 3074/4885

“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.