SCHEMBL18644348

SCHEMBL18644348

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

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.56
CTSS P25774 2/20 0.54

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
SCHEMBL14279380 1.00 CTSK (0.56) CTSKCTSS
SCHEMBL29506103 0.95 CTSK (0.51) CTSKCTSS
SCHEMBL28523886 0.93 CTSK (0.50) CTSKCTSS
SCHEMBL30901642 0.93 CTSK (0.50) CTSKCTSS
SCHEMBL28012265 0.93 CTSK (0.56) CTSKCTSS
SCHEMBL13669545 0.93 CTSK (0.54) CTSKCTSS
SCHEMBL18993567 0.92 CTSK (0.55) CTSKCTSS
SCHEMBL31121751 0.91 CTSK (0.54) CTSKCTSS
SCHEMBL31121749 0.91 CTSK (0.54) CTSKCTSS
SCHEMBL8288056 0.90 CTSK (0.47) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342035-A1 2-AMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-11-30 US disclosed
US-9598378-B2 2-aminopyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2017-03-21 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-20170342035-A1 2-AMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS DPYD, EIF2AK2, TYMP CTSK 3549/4885CTSS 3182/4885

“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.