SCHEMBL5415604

SCHEMBL5415604

C[Si](C)(C)c1c(F)cc(-c2ccc3cc(OS(C)(=O)=O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)c(CO)c1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.46
ENPP1 P22413 5/20 0.44
ESR1 P03372 11/20 0.43
STS P08842 2/20 0.43
ESR2 Q92731 9/20 0.43
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42

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
SCHEMBL5417454 0.93 ENPP3 (0.48) ENPP3ENPP1ESR1STSESR2
SCHEMBL5422671 0.90 ENPP3 (0.48) ENPP3ENPP1ESR1STSESR2
SCHEMBL5428177 0.88 ENPP3 (0.48) ENPP3ENPP1ESR1STSESR2
SCHEMBL1358191 0.84 ENPP3 (0.53) ENPP3ENPP1ESR1STSESR2
SCHEMBL5422570 0.84 ENPP3 (0.51) ENPP3ENPP1ESR1STSESR2
SCHEMBL14409262 0.83 ESR1 (0.53) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1358938 0.80 ENPP3 (0.47) ENPP3ENPP1ESR1STSESR2
SCHEMBL1360038 0.80 ENPP3 (0.50) ENPP3ENPP1ESR1STSESR2
SCHEMBL6204827 0.77 CHEK2 (0.39) ENPP3ENPP1ESR1
SCHEMBL1359436 0.77 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2

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-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed
EP-1551822-B1 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LILLY CO ELI (US) 2006-12-20 EP disclosed
US-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY 2005-11-24 US disclosed
EP-1551822-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2005-07-13 EP disclosed
WO-2004009578-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2004-01-29 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-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods NR5A1, NR3C2, OXER1 ENPP3 1667/4885ENPP1 1821/4885ESR1 6/4885

“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.