SCHEMBL3530484

SCHEMBL3530484

COC(=O)CCCN(C(=O)OC(C)(C)C)c1c(C)cc(C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.36
CFTR P13569 1/20 0.35
CACNA1B Q00975 2/20 0.35
CACNA1C Q13936 2/20 0.35
CACNA1G O43497 1/20 0.35
TRPV4 Q9HBA0 2/20 0.35
RXRA P19793 5/20 0.33
NR1H2 P55055 5/20 0.33
NOTUM Q6P988 1/20 0.33
CETP P11597 1/20 0.33
NR1H3 Q13133 3/20 0.32
CSNK2A1 P68400 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 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
SCHEMBL3533762 0.84 CFTR (0.42) MLYCDCFTRTRPV4RXRANR1H2
SCHEMBL108362 0.81 SMN1; SMN2 (0.34) CSNK2A1
SCHEMBL3538678 0.78 APP (0.34) MLYCDNOTUMCSNK2A1
SCHEMBL13017433 0.77 CNR1 (0.32) CSNK2A1
SCHEMBL3532872 0.73 MAPT (0.41) CSNK2A1POLBKMT2A
SCHEMBL13737598 0.70 ALDH1A1 (0.41) MLYCDKMT2A
SCHEMBL27267256 0.69 CFTR (0.45) CFTRNOTUMKMT2A
SCHEMBL2478823 0.68 MLYCD (0.36) MLYCDCFTRTRPV4
SCHEMBL1969523 0.67 CACNA1G (0.40) MLYCDCACNA1BCACNA1CCACNA1GRXRA
SCHEMBL22507939 0.66 CFTR (0.51) CFTRRXRANR1H2NOTUMNR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 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-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 MLYCD 2428/4885CFTR 1703/4885CACNA1B 2909/4885

“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.