SCHEMBL4923935

SCHEMBL4923935

CCCc1nn(C)c2c(=O)n(CCCNc3ccc(SC(C)(C)C(=O)O)cc3)c(CC)nc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
LMNA P02545 4/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE6C P51160 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TBXAS1 P24557 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HDAC2 Q92769 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4914498 0.95 PDE5A (0.38) PDE5AHDAC1HDAC6LMNAMAPT
SCHEMBL4056544 0.91 PDE5A (0.37) PDE5AHDAC1HDAC6LMNAMAPT
SCHEMBL3958576 0.91 PDE5A (0.38) PDE5AHDAC1HDAC6LMNAMAPT
SCHEMBL3844481 0.88 PDE5A (0.33) PDE5AHDAC1HDAC6TBXAS1
SCHEMBL4913969 0.85 PDE5A (0.39) PDE5AHDAC1HDAC6PDE6CPDE3B
SCHEMBL4916683 0.85 PPARA (0.41) PDE5AHDAC1HDAC6
SCHEMBL3838719 0.82 PDE5A (0.39) PDE5AHDAC1HDAC6LMNAMAPT
SCHEMBL4923154 0.80 PDE5A (0.39) PDE5AHDAC1HDAC6PDE6CHDAC2
SCHEMBL4914566 0.80 PPARA (0.42) PDE5AHDAC1HDAC6PDE6C
SCHEMBL3847182 0.79 MAPK14 (0.35) MAPTHTTSMN1; SMN2

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-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 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-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity PPARA, PPARD, PPARG PDE5A 1657/4885HDAC1 1524/4885HDAC6 2572/4885

“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.