SCHEMBL14214412

SCHEMBL14214412

CCCCOc1cc(O[C@@](C)(CC)C(=O)OC)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMPD1 P17405 3/20 0.39
FABP4 P15090 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 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
SCHEMBL14214411 1.00 OPRK1 (0.42) OPRK1PDE4APDE4BPDE4CPDE4D
SCHEMBL14184570 0.95 FABP4 (0.44) OPRK1PDE4APDE4BPDE4CPDE4D
SCHEMBL14214408 0.88 PPARA (0.47) PPARDPPARAPPARGTSHR
SCHEMBL3827075 0.84 KDM4E (0.50) OPRK1PPARAPPARGSMPD1KDM4E
SCHEMBL3824414 0.84 KDM4E (0.50) OPRK1PPARAPPARGSMPD1KDM4E
SCHEMBL3824408 0.84 KDM4E (0.50) OPRK1PPARAPPARGSMPD1KDM4E
SCHEMBL14214467 0.81 PLA2G4B (0.50) SMPD1THRBKMT2A
SCHEMBL3827826 0.81 OPRK1 (0.46) OPRK1PPARAPPARGL3MBTL1TSHR
SCHEMBL3828268 0.81 OPRK1 (0.46) OPRK1PPARAPPARGL3MBTL1TSHR
SCHEMBL3828354 0.81 OPRK1 (0.46) OPRK1PPARAPPARGL3MBTL1TSHR

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 OPRK1 376/4885PDE4A 1277/4885PDE4B 1794/4885

“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.