SCHEMBL5948841

SCHEMBL5948841

C[C@@H]1CC[C@H](NC(=O)[CH]C[C@H](C)C(N)=O)[C@@H](O)CN1C(=O)N1CCOCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LIPE Q05469 1/20 0.30

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
SCHEMBL4316698 0.80 CTSL (0.33) PKMSMN1; SMN2LIPE
SCHEMBL5948848 0.79 CACNA1B (0.36) PKMSMN1; SMN2LIPE
SCHEMBL4317287 0.76
SCHEMBL4318920 0.76
SCHEMBL7451819 0.71 TAS1R3 (0.32)
SCHEMBL6203392 0.71 BTK (0.32)
SCHEMBL4316839 0.70 MEN1 (0.38) PKMSMN1; SMN2LIPE
SCHEMBL6273909 0.69 TAS1R3 (0.32)
SCHEMBL17152289 0.69 OPRK1 (0.34) SMN1; SMN2
SCHEMBL6391548 0.68 KMT2A (0.38)

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-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 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 (2 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ PKM 911/4885SMN1; SMN2 4497/4885LIPE 1785/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ PKM 1175/4885SMN1; SMN2 4434/4885LIPE 1670/4885

“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.