SCHEMBL3965270

SCHEMBL3965270

COC(=O)C(Cc1ccc(Oc2ccc(C=C3SC(=O)NC3=O)cc2)cc1F)NC(=O)C(N)Cc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.37
HDAC8 Q9BY41 3/20 0.37
PPARG P37231 1/20 0.36
HPGD P15428 2/20 0.36
AKR1B1 P15121 2/20 0.36
FOXM1 Q08050 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ESRRA P11474 1/20 0.35
GPR119 Q8TDV5 2/20 0.35

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
SCHEMBL3964968 0.93 AKR1B1 (0.39) HDAC4HDAC8PPARGHPGDAKR1B1
SCHEMBL3968644 0.90 IGF1R (0.37) HDAC4HPGDAKR1B1FOXM1GPR35
SCHEMBL3971286 0.89 HPGD (0.42) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL3974489 0.89 HPGD (0.36) HDAC4HDAC8PPARGHPGDAKR1B1
Hydrochloric Acid SCHEMBL3966186 0.88 HPGD (0.41) HPGDAKR1B1GPR35PIM1PIM2
SCHEMBL3968162 0.88 ESRRA (0.38) HDAC4HDAC8PPARGHPGDESRRA
SCHEMBL6246085 0.86 HPGD (0.40) HDAC4HPGDAKR1B1GPR35PIM1
SCHEMBL3969419 0.83 PPARG (0.39) PPARGHPGDESRRA
SCHEMBL3966370 0.82 HDAC4 (0.39) HDAC4HDAC8HPGDAKR1B1GPR35
SCHEMBL2569054 0.81 AKR1B1 (0.47) HDAC4HDAC8HPGDAKR1B1FOXM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087576-B2 Antidiabetic agents; anticholesterol agents; obesity; antiinflammatory agents; autoimmune disease; multiple sclerosis; antiarthritic agents BEXEL PHARMACEUTICALS, INC. (US) 2006-08-08 US claimed
US-20050075293-A1 Antidiabetic agents; anticholesterol agents; obesity; antiinflammatory agents; autoimmune disease; multiple sclerosis; antiarthritic agents BEXEL PHARMACEUTICALS, INC. 2005-04-07 US claimed
US-7521466-B2 Dipeptide phenyl ethers BEXEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20070037863-A1 such as 5-[4-(4-(2-(2-amino-3-imidazol-4-yl propanamido)-2-methoxy carobonylethyl)phenoxy)benzylidene]thiazolidin-2,4-dione, used for lowering blood glucose, serum insulin, free fatty acids, cholesterol and triglyceride levels; prophylaxis of diabetes, obesity, inflammation and autoimmune diseases NAG BISHWAJIT 2007-02-15 US disclosed
US-7087576-B2 Antidiabetic agents; anticholesterol agents; obesity; antiinflammatory agents; autoimmune disease; multiple sclerosis; antiarthritic agents BEXEL PHARMACEUTICALS, INC. (US) 2006-08-08 US disclosed
US-20050075293-A1 Antidiabetic agents; anticholesterol agents; obesity; antiinflammatory agents; autoimmune disease; multiple sclerosis; antiarthritic agents BEXEL PHARMACEUTICALS, INC. 2005-04-07 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 (2 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-20050075293-A1 Antidiabetic agents; anticholesterol agents; obesity; antiinflammatory agents; autoimmune disease; multiple sclerosis; antiarthritic agents DPP4, GPR119, IAPP HDAC4 324/4885HDAC8 501/4885PPARG 47/4885
US-20070037863-A1 such as 5-[4-(4-(2-(2-amino-3-imidazol-4-yl propanamido)-2-methoxy carobonylethyl)phenoxy)benzylidene]thiazolidin-2,4-dione, used for lowering blood glucose, serum insulin, free fatty acids, cholesterol and triglyceride levels; prophylaxis of diabetes, obesity, inflammation and autoimmune diseases FFAR4, IAPP, FFAR2 HDAC4 904/4885HDAC8 951/4885PPARG 52/4885

“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.