SCHEMBL3972336

SCHEMBL3972336

COC(=O)C(Cc1ccc(Oc2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1)NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
HPGD P15428 6/20 0.42
AKR1B1 P15121 3/20 0.42
GPR35 Q9HC97 1/20 0.42
PIM2 Q9P1W9 2/20 0.41
KLK5 Q9Y337 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
HDAC4 P56524 1/20 0.41
CISD1 Q9NZ45 1/20 0.40

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
SCHEMBL3972338 1.00 PIM1 (0.43) PIM1ADAMTS5HPGDAKR1B1GPR35
SCHEMBL3868250 0.91 HPGD (0.47) PIM1ADAMTS5HPGDAKR1B1GPR35
SCHEMBL3868253 0.91 HPGD (0.47) PIM1ADAMTS5HPGDAKR1B1GPR35
SCHEMBL1384803 0.91 HPGD (0.47) PIM1ADAMTS5HPGDAKR1B1GPR35
SCHEMBL13866886 0.91 HPGD (0.47) PIM1ADAMTS5HPGDAKR1B1GPR35
SCHEMBL2568628 0.91 HPGD (0.47) PIM1ADAMTS5HPGDAKR1B1GPR35
SCHEMBL3965258 0.87 HPGD (0.42) PIM1ADAMTS5HPGDAKR1B1GPR35
SCHEMBL4206795 0.84 HPGD (0.50) PIM1HPGDAKR1B1GPR35PIM2
SCHEMBL13868976 0.84 HPGD (0.50) PIM1HPGDAKR1B1GPR35PIM2
SCHEMBL4206790 0.84 HPGD (0.50) PIM1HPGDAKR1B1GPR35PIM2

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 PIM1 1418/4885ADAMTS5 2560/4885HPGD 4199/4885

“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.