SCHEMBL4765946

SCHEMBL4765946

CCOC(=O)CCCN(C(=O)OC(C)C)c1cc(Cl)c(Br)nc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX3 P56373 6/20 0.33
TNF P01375 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
MAPK1 P28482 1/20 0.31
STING1 Q86WV6 2/20 0.31
ALOX5 P09917 1/20 0.30
TOP2A P11388 1/20 0.30

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
SCHEMBL4770863 0.85 L3MBTL1 (0.35) P2RX3TNFPDE3BPDE3AP2RY12
SCHEMBL3535482 0.75 CA12 (0.35)
SCHEMBL4767330 0.74 MLYCD (0.35) CYP1A2CYP2C19PDE3BPDE3AP2RY12
SCHEMBL3535191 0.73 USP2 (0.38) CYP1A2CYP3A4CYP2C19ALOX5TOP2A
SCHEMBL3537718 0.72 ALOX5 (0.34) CYP1A2CYP3A4CYP2C19TNFSTING1
SCHEMBL3534417 0.72 NLRP3 (0.38) CYP3A4CYP2C19ALOX5
SCHEMBL2472493 0.69 NR4A2 (0.37) CYP1A2
SCHEMBL4770748 0.66 HPGD (0.40) CYP1A2CYP2C19
SCHEMBL2478961 0.65 MAPT (0.35) ALOX5
SCHEMBL4768305 0.65 MLYCD (0.34)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732933-B1 COMPOUNDS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2008-07-23 EP disclosed
EP-1732933-B1 COMPOUNDS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2008-07-23 EP disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
EP-1732933-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-12-20 EP disclosed
WO-2005097805-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-10-20 WO 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-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA PCSK9, LIPC, APOB CYP1A2 832/4885CYP3A4 1039/4885CYP2C19 1089/4885

“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.