SCHEMBL13617076

SCHEMBL13617076

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)N[C@]1(C(=O)OCC)CC1C=C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC4 P56524 1/20 0.34
TGM2 P21980 1/20 0.31
CTSB P07858 1/20 0.31
PPP3CB P16298 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL7819394 1.00 CYP3A4 (0.39) CYP3A4HDAC1HDAC8HDAC4TGM2
SCHEMBL2238823 1.00 CYP3A4 (0.39) CYP3A4HDAC1HDAC8HDAC4TGM2
SCHEMBL3829153 0.92 CYP3A4 (0.41) CYP3A4HDAC1HDAC8HDAC4CTSB
SCHEMBL13610255 0.90 CYP3A4 (0.39) CYP3A4HDAC1HDAC8HDAC4
SCHEMBL14586252 0.90 HDAC1 (0.35) CYP3A4HDAC1HDAC8HDAC4TGM2
SCHEMBL15747003 0.89 HDAC1 (0.39) CYP3A4HDAC1HDAC8HDAC4ITGB3
SCHEMBL10254350 0.89 HDAC1 (0.39) CYP3A4HDAC1HDAC8HDAC4ITGB3
SCHEMBL13783718 0.89 HDAC1 (0.39) CYP3A4HDAC1HDAC8HDAC4ITGB3
SCHEMBL1943013 0.89 HDAC1 (0.39) CYP3A4HDAC1HDAC8HDAC4ITGB3
SCHEMBL13610589 0.89 HDAC1 (0.37) CYP3A4HDAC1HDAC8HDAC4ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285773-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-19 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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-20090285773-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL CYP3A4 379/4885HDAC1 1626/4885HDAC8 2044/4885

“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.