SCHEMBL3407201

SCHEMBL3407201

COC(=O)CCNC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
CA12 O43570 3/20 0.52
CA14 Q9ULX7 3/20 0.52
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
EPHX2 P34913 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ADRA1A P35348 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PAOX Q6QHF9 2/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL407248 0.86 TSHR (0.61) TSHRKDM4EMAPK1HIF1AEPHX2
SCHEMBL15146916 0.85 TSHR (0.46) TSHRCA12CA14KDM4EMAPK1
SCHEMBL14507335 0.84 KDM4E (0.62) TSHRKDM4EMAPK1HIF1AEPHX2
SCHEMBL130413 0.82 KDM4E (0.67) TSHRKDM4EMAPK1HIF1AEPHX2
SCHEMBL23940007 0.81 KDM4E (0.46) TSHRCA12CA14KDM4EMAPK1
SCHEMBL9683695 0.80 TSHR (0.57) TSHRCA12CA14KDM4EEPHX2
SCHEMBL13813999 0.80 TSHR (0.57) TSHRCA12CA14KDM4EEPHX2
SCHEMBL48439 0.79 GAA (0.52) TSHRKDM4EMAPK1HIF1AMGAM
SCHEMBL14902247 0.79 MGAM (0.52) TSHRCA12CA14KDM4EEPHX2
SCHEMBL860790 0.79 KDM4E (0.56) TSHRKDM4EMAPK1HIF1AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP claimed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP claimed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO claimed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
US-11772063-B2 Method and device for producing saccharides and saccharide arrays MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-10-03 US disclosed
US-11534419-B2 N-acetyl beta alanine methods of use THERMOLIFE INTERNATIONAL, LLC (US) 2022-12-27 US disclosed
US-11534419-B2 N-acetyl beta alanine methods of use THERMOLIFE INTERNATIONAL, LLC (US) 2022-12-27 US disclosed
US-11168104-B2 Unique self-assembled poly-amidoamine polymers and their eletrochemical reactivity ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-11-09 US disclosed
WO-2020127391-A1 METHOD AND DEVICE FOR PRODUCING SACCHARIDES AND SACCHARIDE ARRAYS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-06-25 WO disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 US disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-7276601-B2 Method and preparing fused oxazinones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-02 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed
US-5173510-A Anticholesterol agents AMERICAN CYANAMID COMPANY (US) 1992-12-22 US disclosed
US-5053426-A Enzyme inhibitors AMERICAN CYANAMID COMPANY (US) 1991-10-01 US disclosed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP 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 (7 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-11772063-B2 Method and device for producing saccharides and saccharide arrays MGAM, SORD, FUT5 TSHR 2381/4885CA12 67/4885CA14 41/4885
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 TSHR 477/4885CA12 34/4885CA14 44/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 TSHR 477/4885CA12 34/4885CA14 44/4885
US-11168104-B2 Unique self-assembled poly-amidoamine polymers and their eletrochemical reactivity EPM2A, PAM, CCNA1 TSHR 3598/4885CA12 168/4885CA14 343/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 TSHR 1602/4885CA12 4569/4885CA14 4355/4885
US-11534419-B2 N-acetyl beta alanine methods of use AADAT, B3GNT2, AANAT TSHR 3703/4885CA12 846/4885CA14 808/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 TSHR 2577/4885CA12 4798/4885CA14 4555/4885

“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.