SCHEMBL3968290

SCHEMBL3968290

NCC(=O)NC(Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.50
PPARG P37231 6/20 0.50
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
PPARA Q07869 2/20 0.47
MAPT P10636 2/20 0.47
MPC2 O95563 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3972196 0.90 PPARG (0.51) FFAR1PPARGPPARAMAPTMPC2
Hydrochloric Acid SCHEMBL3965999 0.89 PPARG (0.50) FFAR1PPARGPPARAMAPTMPC2
SCHEMBL13875934 0.86 PPARG (0.52) FFAR1PPARGPPARAMAPTMPC2
SCHEMBL3966853 0.86 MME (0.48) FFAR1PPARGITGB3ITGA2BPPARA
SCHEMBL6245391 0.85 PPARG (0.45) FFAR1PPARGITGB3ITGA2BMAPT
SCHEMBL15844982 0.85 PPARG (0.51) FFAR1PPARGPPARAMAPTMPC2
SCHEMBL3966198 0.84 FFAR1 (0.49) FFAR1PPARGITGB3ITGA2BPPARA
Hydrochloric Acid SCHEMBL4158143 0.84 PPARG (0.50) FFAR1PPARGPPARAMAPTMPC2
SCHEMBL1386648 0.83 ITGB3 (0.54) FFAR1PPARGITGB3ITGA2BPPARA
SCHEMBL14612225 0.82 PPARG (0.47) FFAR1PPARGPPARAMAPTMPC2

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 8 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
WO-2005034981-A1 DIPEPTIDE PHENYL ETHERS BEXEL PHARMACEUTICALS, INC. (US) 2005-04-21 WO 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 47/4885ITGB3 4569/4885
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 52/4885ITGB3 3832/4885

“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.