SCHEMBL16407751

SCHEMBL16407751

CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[C@@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
FKBP1A P62942 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.33
PEPD P12955 1/20 0.33
GABRR1 P24046 4/20 0.32
GABRR2 P28476 1/20 0.32

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
SCHEMBL20919668 1.00 TOP2A (0.35) TOP2ATP53CYP3A4FKBP1AHTT
SCHEMBL23389527 0.85 GABRR1 (0.46) TOP2AGABRR1GABRR2
SCHEMBL7296965 0.77 PABPC1 (0.33) FKBP1A
SCHEMBL7291318 0.77 PABPC1 (0.33) FKBP1A
SCHEMBL6099554 0.77 CA1 (0.42) FKBP1A
SCHEMBL31153812 0.77 RECQL (0.40) SMN1; SMN2
SCHEMBL19884450 0.77 CYP2C19 (0.40) TP53CYP3A4HTTCYP2C19PEPD
SCHEMBL16407750 0.76 FKBP1A (0.44) FKBP1A
SCHEMBL7303649 0.75 TOP2A (0.31) TOP2A
SCHEMBL7344040 0.75 TOP2A (0.31) TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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 (3 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 TOP2A 2656/4885TP53 53/4885CYP3A4 2495/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 TOP2A 2656/4885TP53 53/4885CYP3A4 2495/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TOP2A 2458/4885TP53 42/4885CYP3A4 3019/4885

“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.