SCHEMBL6503852

SCHEMBL6503852

COC(=O)C[C@@H](CC(=O)C=Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c(C(=O)Nc2ccc(CS(C)(=O)=O)cc2)n1C(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 16/20 0.37
MAP4K4 O95819 1/20 0.31
TNIK Q9UKE5 1/20 0.31
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5732349 0.93 HMGCR (0.42) HMGCRSMN1; SMN2
SCHEMBL5732350 0.93 HMGCR (0.42) HMGCRSMN1; SMN2
SCHEMBL5731672 0.90 HMGCR (0.46) HMGCR
SCHEMBL5731668 0.90 HMGCR (0.46) HMGCR
SCHEMBL6493447 0.90 HMGCR (0.46) HMGCR
SCHEMBL6493452 0.90 HMGCR (0.46) HMGCR
SCHEMBL5730679 0.90 HMGCR (0.45) HMGCR
SCHEMBL5730680 0.90 HMGCR (0.45) HMGCR
SCHEMBL5732359 0.87 HMGCR (0.45) HMGCR
SCHEMBL5732360 0.87 HMGCR (0.45) HMGCR

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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 HMGCR 1/4885MAP4K4 3852/4885TNIK 1664/4885

“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.