SCHEMBL19578484

SCHEMBL19578484

CCCC(C)(CC)C(=O)[C@H](COC)NC(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.33
▸ CTSS P25774 3/20 0.33
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL19334263 0.91 CTSK (0.35) CTSKCTSS
SCHEMBL19578425 0.88 CTSK (0.36) CTSKCTSSTSHRLMNACYP3A4
SCHEMBL19578133 0.84 CTSK (0.35) CTSKCTSSTSHRLMNACYP3A4
SCHEMBL19334205 0.81 CTSK (0.35) CTSKCTSS
SCHEMBL19578342 0.80 TSHR (0.37) CTSKTSHRLMNACYP3A4NFKB1
SCHEMBL19318525 0.79 CTSS (0.34) CTSKCTSS
SCHEMBL8906249 0.79 CTSS (0.34) CTSKCTSS
SCHEMBL19578131 0.77 CTSK (0.40) CTSKCTSS
SCHEMBL22361396 0.77 EPHX1 (0.39) CTSKCTSSTSHRCYP3A4
SCHEMBL22361402 0.77 EPHX1 (0.39) CTSKCTSSTSHRCYP3A4

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-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — 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-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885TSHR 4635/4885

“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.

Send feedback