SCHEMBL2828986

SCHEMBL2828986

CCOC(=O)C1=C[C@@H](O)[C@@H](OS(C)(=O)=O)[C@H](N)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
STS P08842 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL30468143 0.88 HPGD (0.34) LMNACYP3A4MEN1KMT2AHPGD
SCHEMBL2828984 0.81 MEN1 (0.42) LMNACYP3A4MEN1KMT2AHPGD
SCHEMBL2829344 0.81 MEN1 (0.55) LMNACYP3A4MEN1KMT2ANEU1
SCHEMBL24418101 0.80 HPGD (0.34) LMNACYP3A4MEN1KMT2AHPGD
SCHEMBL2829330 0.79 LMNA (0.43) LMNACYP3A4MEN1KMT2AHPGD
SCHEMBL15481367 0.78 MEN1 (0.41) LMNACYP3A4MEN1KMT2ANEU1
Hydrochloric Acid SCHEMBL2829328 0.77 LMNA (0.42) LMNACYP3A4MEN1KMT2AHPGD
SCHEMBL3455790 0.76 LMNA (0.44) LMNACYP3A4MEN1KMT2AHPGD
SCHEMBL11897986 0.76 LMNA (0.36) LMNACYP3A4MEN1KMT2AHPGD
SCHEMBL9277681 0.76 LMNA (0.36) LMNACYP3A4MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791808-B1 PROCESS FOR THE PREPARATION OF 4,5-DIAMINO SHIKIMICACID HOFFMANN LA ROCHE (CH) 2010-07-14 EP disclosed
US-7514580-B2 Process for the preparation of 4,5-diamino shikimic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
EP-1791808-A1 PROCESS FOR THE PREPARATION OF 4,5-DIAMINO SHIKIMICACID F.HOFFMANN-LA ROCHE AG (CH) 2007-06-06 EP disclosed
WO-2006024436-A1 PROCESS FOR THE PREPARATION OF 4,5-DIAMINO SHIKIMICACID F. HOFFMANN-LA ROCHE AG (CH) 2006-03-09 WO disclosed
US-20060047002-A1 Process for the preparation of 4,5-diamino shikimic acid derivatives HOFFMANN-LA ROCHE INC. 2006-03-02 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-20060047002-A1 Process for the preparation of 4,5-diamino shikimic acid derivatives NEU4, NEU1, NEU3 LMNA 2678/4885CYP3A4 209/4885MEN1 3031/4885

“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.