SCHEMBL17563121

SCHEMBL17563121

CCOC(=O)C1=C[C@@H](OC(CC)CC)C(NC(C)=O)[C@@H](N=[N+]=[N-])C1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
KMT2A Q03164 1/20 0.62
NEU1 Q99519 1/20 0.51

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
SCHEMBL13448858 1.00 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL28738706 1.00 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL22410774 1.00 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15933160 0.92 MEN1 (0.52) MEN1LMNACYP3A4KMT2A
SCHEMBL15933158 0.89
SCHEMBL30513880 0.87 MEN1 (0.46) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL30513885 0.87 MEN1 (0.46) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL13839338 0.85 MEN1 (0.48) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL13448885 0.84
SCHEMBL15481366 0.84 MEN1 (0.47) MEN1LMNACYP3A4KMT2ANEU1

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
EP-2190439-B1 OSELTAMIVIR PHOSPHONATE DERIVATIVES WITH ANTI-INFLUENZA ACTIVITY AND SYNTHESIS THEREOF ACADEMIA SINICA (TW) 2016-03-09 EP disclosed
US-7888337-B2 Synthesis of oseltamivir containing phosphonate congeners with anti-influenza activity ACADEMIA SINICA (TW) 2011-02-15 US disclosed
US-20100113397-A1 SYNTHESIS OF OSELTAMIVIR CONTAINING PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY ACADEMIA SINICA (TW) 2010-05-06 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-20100113397-A1 SYNTHESIS OF OSELTAMIVIR CONTAINING PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY TALDO1, DUSP4, PNP MEN1 2801/4885LMNA 3902/4885CYP3A4 365/4885

“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.