SCHEMBL3967092

SCHEMBL3967092

NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c(F)c1F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.37
PPARG P37231 11/20 0.37
MPC2 O95563 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
PPARA Q07869 1/20 0.35
CYP3A4 P08684 1/20 0.34
RXRA P19793 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL3967375 0.93 PPARG (0.36) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL3972498 0.90 FFAR1 (0.40) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL3970881 0.90 FFAR1 (0.40) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL3964120 0.88 FFAR1 (0.42) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6246294 0.86 PPARG (0.32) PPARG
SCHEMBL3966279 0.86 FFAR1 (0.40) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6246069 0.86 PPARG (0.32) PPARG
SCHEMBL4206823 0.83 PPARG (0.38) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL3969419 0.83 PPARG (0.39) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL3966370 0.82 HDAC4 (0.39)

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 FFAR1 9/4885PPARG 47/4885MPC2 1439/4885
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 FFAR1 9/4885PPARG 52/4885MPC2 335/4885

“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.