SCHEMBL3968644

SCHEMBL3968644

COC(=O)C(Cc1ccc(Oc2ccc(C=C3SC(=O)NC3=O)cc2)c(F)c1F)NC(=O)C(N)Cc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.37
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
ESRRA P11474 2/20 0.37
GPR119 Q8TDV5 4/20 0.36
HDAC4 P56524 1/20 0.36
HPGD P15428 3/20 0.36
FOXM1 Q08050 1/20 0.36
GPR35 Q9HC97 1/20 0.35
AKR1B1 P15121 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3966370 0.93 HDAC4 (0.39) IGF1RPIM1PIM2ESRRAGPR119
SCHEMBL3965270 0.90 HDAC4 (0.37) PIM1PIM2ESRRAGPR119HDAC4
SCHEMBL3968162 0.88 ESRRA (0.38) IGF1RESRRAHDAC4HPGD
SCHEMBL6246294 0.87 PPARG (0.32) IGF1RESRRAGPR119HDAC4HPGD
SCHEMBL3971286 0.87 HPGD (0.42) PIM1PIM2HPGDGPR35AKR1B1
Hydrochloric Acid SCHEMBL3966186 0.86 HPGD (0.41) PIM1PIM2HPGDGPR35AKR1B1
SCHEMBL6246069 0.86 PPARG (0.32) IGF1RESRRAGPR119HDAC4HPGD
SCHEMBL3974489 0.85 HPGD (0.36) PIM1PIM2GPR119HDAC4HPGD
SCHEMBL6246085 0.84 HPGD (0.40) PIM1PIM2HDAC4HPGDGPR35
SCHEMBL3967375 0.83 PPARG (0.36) HPGD

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 IGF1R 164/4885PIM1 2192/4885PIM2 2727/4885
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 IGF1R 84/4885PIM1 1418/4885PIM2 1016/4885

“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.