SCHEMBL14214467

SCHEMBL14214467

CCCCOc1cccc(O[C@@](C)(CC)C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.50
SMPD1 P17405 3/20 0.49
THRB P10828 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 3/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL11357364 0.85 LMNA (0.46) KMT2A
SCHEMBL3824575 0.82 MAOB (0.54) SMPD1KMT2A
SCHEMBL3824878 0.82 MAOB (0.54) SMPD1KMT2A
SCHEMBL3829423 0.82 MAOB (0.54) SMPD1KMT2A
SCHEMBL3823699 0.82 CYP3A4 (0.46)
SCHEMBL3830321 0.82 CYP3A4 (0.46)
SCHEMBL3826804 0.82 CYP3A4 (0.46)
SCHEMBL14214411 0.81 OPRK1 (0.42) SMPD1THRBKMT2A
SCHEMBL14214412 0.81 OPRK1 (0.42) SMPD1THRBKMT2A
SCHEMBL13846076 0.81 LMNA (0.45) KMT2A

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 1 patent. 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

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 PLA2G4B 604/4885SMPD1 1943/4885THRB 185/4885

“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.