SCHEMBL6493447

SCHEMBL6493447

COC(=O)C[C@@H](CC(=O)/C=C/c1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1C(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 13/20 0.46
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5731668 1.00 HMGCR (0.46) HMGCRCA1CA2CA4CA7
SCHEMBL5731672 1.00 HMGCR (0.46) HMGCRCA1CA2CA4CA7
SCHEMBL6493452 1.00 HMGCR (0.46) HMGCRCA1CA2CA4CA7
SCHEMBL5732350 0.94 HMGCR (0.42) HMGCR
SCHEMBL5732349 0.94 HMGCR (0.42) HMGCR
SCHEMBL5749944 0.91 HMGCR (0.43) HMGCRCA1CA2CA4CA7
SCHEMBL5749941 0.91 HMGCR (0.43) HMGCRCA1CA2CA4CA7
SCHEMBL5730680 0.90 HMGCR (0.45) HMGCR
SCHEMBL5730679 0.90 HMGCR (0.45) HMGCR
SCHEMBL6503852 0.90 HMGCR (0.37) 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 1/4885CA1 4307/4885CA2 4591/4885

“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.