SCHEMBL16407677

SCHEMBL16407677

CC(=O)[C@H](C(C)C)N1CC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.53
KDM4D Q6B0I6 15/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HSD11B1 P28845 2/20 0.46
CYP2C9 P11712 1/20 0.46
KDM6A O15550 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
SCHEMBL12026411 0.85 CTSK (0.59) CTSKKDM4DCA1CA2HSD11B1
SCHEMBL21779949 0.85 CTSK (0.59) CTSKKDM4DCA1CA2HSD11B1
SCHEMBL14024975 0.85 CTSK (0.59) CTSKKDM4DCA1CA2HSD11B1
SCHEMBL21527239 0.84 CTSK (0.56) CTSKKDM4DCA1CA2HSD11B1
SCHEMBL16409127 0.82 CTSK (0.46) CTSKKDM4DCA1CA2HSD11B1
SCHEMBL16253370 0.80 CTSK (0.54) CTSKKDM4DCA1CA2HSD11B1
SCHEMBL24261283 0.79 CTSK (0.53) CTSKKDM4DCA1CA2HSD11B1
SCHEMBL1456569 0.79 CTSK (0.55) CTSKKDM4DCA1CA2HSD11B1
SCHEMBL18500471 0.78 CTSK (0.56) CTSKKDM4DCA1CA2HSD11B1
SCHEMBL29765193 0.77 CTSK (0.54) CTSKKDM4DCA1CA2HSD11B1

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-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 (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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 CTSK 1909/4885KDM4D 4056/4885CA1 4815/4885

“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.