SCHEMBL4499763

SCHEMBL4499763

CC(C)C(O)(CC(=O)OC(C)(C)C)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.38
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NMBR P28336 1/20 0.34
CETP P11597 3/20 0.33

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
SCHEMBL6567830 0.87 CYP2C19 (0.41) SIRT2CYP2C19HIF1ANMBR
SCHEMBL14458143 0.78 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL312947 0.75 SIRT2 (0.39) SIRT2CYP2C19HIF1AKDM4EALDH1A1
SCHEMBL313247 0.74 CYP17A1 (0.42) SIRT2
SCHEMBL13053078 0.73 CYP11B1 (0.42) SIRT2CYP2C19
SCHEMBL17859348 0.70 SIRT2 (0.51) SIRT2NMBR
SCHEMBL7368138 0.70 SIRT2 (0.51) SIRT2NMBR
SCHEMBL25453639 0.69 SIRT2 (0.55) SIRT2CYP2C19NMBR
SCHEMBL5688831 0.68 SIRT2 (0.42) SIRT2CYP2C19ALDH1A1
SCHEMBL31285310 0.68 L3MBTL1 (0.37) SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629472-B2 Method for producing optically active compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-08 US disclosed
US-20070276143-A1 Method for producing optically active compound YAMANO TORU 2007-11-29 US disclosed
EP-1489070-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-08-29 EP disclosed
US-7247732-B2 Method for producing optically active compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 US disclosed
US-20060229457-A1 Method for producing optically active compound YAMANO TORU 2006-10-12 US disclosed
US-7084278-B2 Process for production of optically active compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
US-20050107433-A1 Process for production of optically active compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 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 (3 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-20070276143-A1 Method for producing optically active compound CYP8B1, HRH3, HRH1 SIRT2 1128/4885CYP2C19 79/4885HIF1A 399/4885
US-20060229457-A1 Method for producing optically active compound CYP8B1, HSD11B1, HSD17B7 SIRT2 1117/4885CYP2C19 107/4885HIF1A 421/4885
US-20050107433-A1 Process for production of optically active compounds CYP8B1, HSD11B1, CYP51A1 SIRT2 1689/4885CYP2C19 60/4885HIF1A 444/4885

“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.