SCHEMBL3971385

SCHEMBL3971385

COC(=O)C(Cc1ccc(Oc2ccc(C=C3SC(=O)NC3=O)cc2)cc1)NC(=O)C(Cc1c[nH]cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
GPR119 Q8TDV5 2/20 0.39
PSMB10 P40306 4/20 0.38
PSMB1 P20618 5/20 0.37
PSMB5 P28074 5/20 0.37
PSMB9 P28065 4/20 0.37
PSMB2 P49721 3/20 0.37
PSMB8 P28062 3/20 0.37
CISD1 Q9NZ45 1/20 0.37
BCL2 P10415 1/20 0.37
AKR1B1 P15121 1/20 0.37
GPR35 Q9HC97 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL3868253 0.89 HPGD (0.47) HPGDGPR119CISD1AKR1B1GPR35
SCHEMBL1384803 0.89 HPGD (0.47) HPGDGPR119CISD1AKR1B1GPR35
SCHEMBL3868250 0.89 HPGD (0.47) HPGDGPR119CISD1AKR1B1GPR35
SCHEMBL13866886 0.89 HPGD (0.47) HPGDGPR119CISD1AKR1B1GPR35
SCHEMBL2568628 0.89 HPGD (0.47) HPGDGPR119CISD1AKR1B1GPR35
SCHEMBL3971286 0.87 HPGD (0.42) HPGDCISD1AKR1B1GPR35
Hydrochloric Acid SCHEMBL3966186 0.87 HPGD (0.41) HPGDCISD1AKR1B1GPR35
SCHEMBL3965258 0.85 HPGD (0.42) HPGDGPR119PSMB10PSMB1PSMB5
SCHEMBL5969277 0.85 KLK5 (0.41) HPGDGPR119CISD1AKR1B1GPR35
SCHEMBL6246085 0.85 HPGD (0.40) HPGDCISD1AKR1B1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGD 3880/4885GPR119 2/4885PSMB10 1040/4885
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 HPGD 4199/4885GPR119 8/4885PSMB10 1739/4885

“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.