SCHEMBL13868977

SCHEMBL13868977

COC(=O)C(Cc1ccc(Oc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1)NC(=O)C(N)CCSC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.42
AKR1B1 P15121 2/20 0.42
PIM1 P11309 5/20 0.41
PIM2 Q9P1W9 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CISD1 Q9NZ45 1/20 0.40
GPR35 Q9HC97 1/20 0.40
IGF1R P08069 1/20 0.39

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
SCHEMBL3971736 1.00 HPGD (0.42) HPGDAKR1B1PIM1PIM2NPC1
Hydrochloric Acid SCHEMBL3963508 0.99 HPGD (0.41) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL3966072 0.92 HPGD (0.45) HPGDAKR1B1PIM1PIM2CISD1
SCHEMBL6242980 0.92 PPARG (0.41) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL13868974 0.87 HPGD (0.47) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL3964115 0.87 HPGD (0.47) HPGDAKR1B1PIM1PIM2NPC1
Hydrochloric Acid SCHEMBL4211139 0.86 HPGD (0.47) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL3965304 0.86 REN (0.42) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL4206795 0.82 HPGD (0.50) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL13868976 0.82 HPGD (0.50) HPGDAKR1B1PIM1PIM2NPC1

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 2 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

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 HPGD 4199/4885AKR1B1 3293/4885PIM1 1418/4885

“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.