SCHEMBL3967161

SCHEMBL3967161

NC(Cc1c[nH]cn1)C(=O)NC(Cc1cc(F)c(Oc2ccc(C=C3SC(=O)NC3=O)cc2)c(F)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.39
HDAC4 P56524 10/20 0.37
PTPN1 P18031 2/20 0.37
HDAC8 Q9BY41 5/20 0.37
HPGD P15428 6/20 0.37
PPARG P37231 2/20 0.37
AKR1B1 P15121 1/20 0.37
POLB P06746 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL3974489 0.93 HPGD (0.36) GPR35HDAC4PTPN1HDAC8HPGD
SCHEMBL3969532 0.91 HDAC4 (0.40) GPR35HDAC4PTPN1HDAC8HPGD
SCHEMBL3968958 0.90 HPGD (0.43) GPR35HDAC4PTPN1HPGDAKR1B1
SCHEMBL6245263 0.90 PPARG (0.35) GPR35HDAC4PTPN1HDAC8HPGD
SCHEMBL3964968 0.88 AKR1B1 (0.39) GPR35HDAC4PTPN1HDAC8HPGD
SCHEMBL6246085 0.86 HPGD (0.40) GPR35HDAC4PTPN1HPGDAKR1B1
SCHEMBL3966370 0.85 HDAC4 (0.39) GPR35HDAC4PTPN1HDAC8HPGD
SCHEMBL3968162 0.84 ESRRA (0.38) HDAC4PTPN1HDAC8HPGDPPARG
SCHEMBL6246069 0.84 PPARG (0.32) HDAC4HPGDPPARG
SCHEMBL3966279 0.83 FFAR1 (0.40) PPARG

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 7 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
WO-2005034981-A1 DIPEPTIDE PHENYL ETHERS BEXEL PHARMACEUTICALS, INC. (US) 2005-04-21 WO 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 GPR35 825/4885HDAC4 324/4885PTPN1 818/4885
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 GPR35 376/4885HDAC4 904/4885PTPN1 703/4885

“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.