Sugi Predict

Sugi Predict / Compounds / SCHEMBL465772

SCHEMBL465772

SCHEMBL465772

CC1(C)OCC(COc2ccc(N)cc2)O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.48
▸ MAPK14 Q16539 8/20 0.47
▸ APP P05067 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL1074704 1.00 CA2 (0.48) CA2MAPK14APPTSHRTP53
SCHEMBL1076666 1.00 CA2 (0.48) CA2MAPK14APPTSHRTP53
SCHEMBL13204672 0.86 PKM (0.51) CA2MAPK14APPTSHRTP53
SCHEMBL898113 0.86 CA2 (0.45) CA2MAPK14APPTSHRTP53
SCHEMBL6267008 0.86 PKM (0.51) CA2MAPK14APPTSHRTP53
SCHEMBL898114 0.86 CA2 (0.45) CA2MAPK14APPTSHRTP53
SCHEMBL12012111 0.85 NFE2L2 (0.47) CA2MAPK14TSHRTDP1
SCHEMBL25159006 0.85 CA2 (0.44) CA2MAPK14APPTSHRTP53
SCHEMBL15562738 0.85 CA2 (0.44) CA2MAPK14APPTSHRTP53
SCHEMBL9774733 0.85 MAPK14 (0.53) CA2MAPK14APPTSHRTP53

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9896551-B2 Phosphaphenanthrene-based compound and related preparation method and application Elite Electronic Material(Zhongshan) Co., Ltd. (CN) 2018-02-20 — — US disclosed
EP-3173414-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Biosciences Inc. (US) 2017-05-31 — — EP disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
EP-2344475-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-20 — — EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 — — EP disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 — — WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 — — WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed
WO-2009023402-A2 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES INC. (US) 2009-02-19 — — WO disclosed
US-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2009-02-19 — — US disclosed
US-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2009-02-19 — — 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 (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-20090048271-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS MKI67, CCNC, HCCS CA2 3355/4885MAPK14 2242/4885APP 4861/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CA2 4508/4885MAPK14 1492/4885APP 2619/4885
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CA2 4472/4885MAPK14 1707/4885APP 2167/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4513/4885MAPK14 1641/4885APP 3514/4885

“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.