SCHEMBL10137817

SCHEMBL10137817

CC(C)C(=O)c1c(F)cccc1F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.59
CES1 P23141 4/20 0.59
TDP1 Q9NUW8 2/20 0.44
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
BCHE P06276 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
HTT P42858 1/20 0.39
NOD2 Q9HC29 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
SCHEMBL15248206 0.88 CES2 (0.48) CES2CES1TDP1FFAR1LMNA
SCHEMBL5199487 0.88 CA12 (0.48) CES2CES1TDP1FFAR1LMNA
SCHEMBL61847 0.86 CES2 (0.47) CES2CES1TDP1FFAR1LMNA
SCHEMBL15113227 0.86 GAA (0.50) CES2CES1KMT2AMEN1JAK2
SCHEMBL24450827 0.86 CES2 (0.47) CES2CES1TDP1FFAR1LMNA
SCHEMBL5200047 0.83 KMT2A (0.55) CES2CES1KMT2A
SCHEMBL14519939 0.83 CES2 (0.44) CES2CES1TDP1
SCHEMBL14667938 0.83 CES2 (0.55) CES2CES1TDP1LMNAKMT2A
SCHEMBL1162664 0.83 CES2 (0.55) CES2CES1TDP1LMNAKMT2A
SCHEMBL24260539 0.80 CES2 (0.41) CES2CES1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
WO-2021195278-A1 TRICYCLIC INHIBITORS OF INFLUENZA VIRUS ENDONUCLEASE WEBB THOMAS R (US) 2021-09-30 WO disclosed
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
US-20200267980-A1 Herbicidally Active Pyridyl-/Pyrimidyl-Pyrimidine Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-27 US disclosed
US-9962382-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-05-08 US disclosed
US-9962382-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-05-08 US disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-20100003267-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LIMITED 2010-01-07 US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20080166364-A1 Conjugated to antibody; thrombospondin receptor targeting COVX TECHNOLOGY IRELAND, LTD. (IE) 2008-07-10 US disclosed
US-20080051353-A1 Avermectin And Avermectin Monosaccharide Substituted In The 4\"- And 4\" Position Respectively SYNGENTA CROP PROTECTION, INC. (US) 2008-02-28 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 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 (12 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-20100003267-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, FLT1 CES2 4659/4885CES1 4430/4885TDP1 4206/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CES2 1377/4885CES1 187/4885TDP1 3248/4885
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease RNASEH1, RNASEL, DNASE1 CES2 1211/4885CES1 447/4885TDP1 49/4885
US-20080166364-A1 Conjugated to antibody; thrombospondin receptor targeting TEK, KDR, FLT4 CES2 4310/4885CES1 3423/4885TDP1 4628/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS CES2 778/4885CES1 872/4885TDP1 1264/4885
US-20080051353-A1 Avermectin And Avermectin Monosaccharide Substituted In The 4\"- And 4\" Position Respectively CCR6, CHRM4, CHRM5 CES2 384/4885CES1 487/4885TDP1 2843/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CES2 4820/4885CES1 3698/4885TDP1 1869/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 CES2 994/4885CES1 343/4885TDP1 293/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 CES2 1413/4885CES1 1990/4885TDP1 2231/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 CES2 898/4885CES1 304/4885TDP1 275/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CES2 1377/4885CES1 187/4885TDP1 3248/4885
US-20200267980-A1 Herbicidally Active Pyridyl-/Pyrimidyl-Pyrimidine Derivatives DPYD, PDXK, PLPBP CES2 1602/4885CES1 1731/4885TDP1 1146/4885

“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.