SCHEMBL7044206

SCHEMBL7044206

CC(C)(CO)C(O)C(=O)NCCNC(=O)[C@@H](O)C(C)(C)CO

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.79
KCNH2 Q12809 1/20 0.79
VNN1 O95497 13/20 0.56
USP2 O75604 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7044200 1.00 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7045827 1.00 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7044196 1.00 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7045821 1.00 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL6676445 0.92 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL15281682 0.90 PTGS1 (0.71) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL13845648 0.90 PTGS1 (0.71) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL17061667 0.89 PTGS1 (0.65) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL17061669 0.89 PTGS1 (0.65) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL17742160 0.89 PTGS1 (0.65) PTGS1KCNH2VNN1USP2MEN1

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-20030236213-A1 Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses ESPERION THERAPEUTICS 2003-12-25 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-20030236213-A1 Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses COASY, HMGCR, ACACA PTGS1 507/4885KCNH2 3333/4885VNN1 95/4885

“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.