SCHEMBL3968958

SCHEMBL3968958

NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccc(Oc2ccc(C=C3SC(=O)NC3=O)cc2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.43
AKR1B1 P15121 1/20 0.43
GPR35 Q9HC97 1/20 0.43
PTPN1 P18031 3/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CISD1 Q9NZ45 1/20 0.39
HDAC4 P56524 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 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
SCHEMBL6246085 0.95 HPGD (0.40) HPGDAKR1B1GPR35PTPN1POLB
SCHEMBL3971286 0.92 HPGD (0.42) HPGDAKR1B1GPR35PTPN1CISD1
Hydrochloric Acid SCHEMBL3966186 0.91 HPGD (0.41) HPGDAKR1B1GPR35PTPN1CISD1
SCHEMBL3969532 0.90 HDAC4 (0.40) HPGDAKR1B1GPR35PTPN1HDAC4
SCHEMBL3967161 0.90 GPR35 (0.39) HPGDAKR1B1GPR35PTPN1POLB
SCHEMBL3964968 0.89 AKR1B1 (0.39) HPGDAKR1B1GPR35PTPN1HDAC4
SCHEMBL3966370 0.86 HDAC4 (0.39) HPGDAKR1B1GPR35PTPN1POLB
SCHEMBL3968162 0.83 ESRRA (0.38) HPGDPTPN1CISD1HDAC4
SCHEMBL3974489 0.83 HPGD (0.36) HPGDAKR1B1GPR35PTPN1HDAC4
SCHEMBL3966067 0.83 HPGD (0.51) HPGDAKR1B1GPR35PTPN1POLB

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 6 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
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 HPGD 3880/4885AKR1B1 2505/4885GPR35 825/4885
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 HPGD 4199/4885AKR1B1 3293/4885GPR35 376/4885

“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.