SCHEMBL3971044

SCHEMBL3971044

COC(=O)C(Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1)NC(=O)C(N)CCSC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.44
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR1 O14842 6/20 0.40
MPC2 O95563 2/20 0.40
CYP2C8 P10632 2/20 0.40
CYP2C9 P11712 2/20 0.40
PPARA Q07869 1/20 0.39
IL1RN P18510 1/20 0.38
ERAP2 Q6P179 1/20 0.38

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
Hydrochloric Acid SCHEMBL3964113 0.99 PPARG (0.43) PPARGMAPTMEN1ALDH1A1TP53
SCHEMBL3965669 0.92 PPARG (0.42) PPARGMAPTMEN1ALDH1A1TP53
SCHEMBL6242980 0.91 PPARG (0.41) PPARGMAPTMEN1ALDH1A1TP53
SCHEMBL3964210 0.87 FNTA (0.46) PPARGMAPTKMT2AFFAR1FNTA
SCHEMBL3972588 0.87 PPARG (0.48) PPARGMAPTMEN1ALDH1A1TP53
Hydrochloric Acid SCHEMBL3965265 0.86 PPARG (0.47) PPARGMAPTMEN1ALDH1A1TP53
SCHEMBL3967597 0.86 REN (0.42) PPARGMAPTMEN1ALDH1A1TP53
SCHEMBL13868972 0.84 PPARG (0.41) PPARG
SCHEMBL3972196 0.82 PPARG (0.51) PPARGMAPTMEN1ALDH1A1TP53
SCHEMBL3964245 0.82 PPARG (0.41) PPARGMAPTMEN1ALDH1A1TP53

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 9 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-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-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 PPARG 47/4885MAPT 2683/4885MEN1 3374/4885
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 PPARG 52/4885MAPT 3672/4885MEN1 2902/4885

“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.