Sugi Predict

Sugi Predict / Compounds / SCHEMBL381709

SCHEMBL381709

SCHEMBL381709

CC1(C)OC[C@@H](COc2ccc(-c3c(C#N)c(N)nc(S)c3C#N)cc2)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 9/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ ADORA1 P30542 11/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL3602017 1.00 ADORA2B (0.43) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL252404 1.00 ADORA2B (0.43) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL12020307 0.89 MAPK14 (0.34) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL12020287 0.89 MAPK14 (0.34) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL12020317 0.89 MAPK14 (0.34) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL1422880 0.88 KDM4E (0.51) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL3304369 0.87 KDM4E (0.34) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL10194193 0.84 KDM4E (0.38) ADORA1KDM4EALDH1A1GAAADORA2A
SCHEMBL12163726 0.84 KDM4E (0.38) ADORA1KDM4EALDH1A1GAAADORA2A
SCHEMBL1930482 0.84 MAPT (0.53) ADORA2BHTR1BOPRK1FFAR4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
EP-2379540-B1 DIPEPTOID PRODRUGS AND THE USE THEREOF BAYER IP GMBH (DE) 2014-10-22 — — EP disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-8741834-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-03 — — US disclosed
US-8741834-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-03 — — US disclosed
US-8609686-B2 Substituted azabicyclic compounds and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF Bayer Schering Pharma 2011-12-01 — — US disclosed
EP-2185550-B1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-11-02 — — EP disclosed
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-29 — — US disclosed
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-29 — — US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 — — US disclosed
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 — — US disclosed
WO-2010072315-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-07-01 — — WO disclosed
WO-2009080197-A1 SUBSTITUTED PYRROLO[2, 3-B] AND PYRAZOLO[3, 4-B] PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 — — 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 (5 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-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DNPEP ADORA2B 1900/4885HTR1B 1563/4885OPRK1 853/4885
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF PPIP5K2, TPMT, PNPO ADORA2B 1374/4885HTR1B 3557/4885OPRK1 2943/4885
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF DNPEP, AADAT, DAO ADORA2B 942/4885HTR1B 1353/4885OPRK1 861/4885
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT ADORA2B 3694/4885HTR1B 1538/4885OPRK1 2972/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ADORA2B 3238/4885HTR1B 1592/4885OPRK1 2084/4885

“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.

Send feedback