SCHEMBL2195482

SCHEMBL2195482

NC1(O)CC(C(=O)O)=CC(O)C1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.35
GABRR1 P24046 1/20 0.33
ABAT P80404 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2193929 0.72 OAT (0.34) OATGABRR1ABATTSHRMAPK1
SCHEMBL6566527 0.67 GABRR1 (0.47) OATGABRR1ABATTSHRMAPK1
SCHEMBL22618120 0.67 GABRR1 (0.47) OATGABRR1ABATTSHRMAPK1
SCHEMBL6566521 0.67 GABRR1 (0.47) OATGABRR1ABATTSHRMAPK1
SCHEMBL3872776 0.64 GABRR1 (0.44) OATGABRR1ABATTSHRMAPK1
SCHEMBL2832851 0.64 GABRR1 (0.44) OATGABRR1ABATTSHRMAPK1
SCHEMBL27231957 0.63 ABAT (0.42) OATGABRR1ABATTSHRMAPK1
SCHEMBL27224967 0.63 ABAT (0.42) OATGABRR1ABATTSHRMAPK1
SCHEMBL9161010 0.63 TSHR (0.40) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL337018 0.61 ALDH1A1 (0.31)

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 16 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 claimed
EP-2193116-A2 PROCESS FROM SHIKIMIC ACID TO OSELTAMIVIR PHOSPHATE F. Hoffmann-Roche AG (CH) 2010-06-09 EP claimed
US-7514580-B2 Process for the preparation of 4,5-diamino shikimic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US claimed
WO-2009037137-A2 PROCESS FROM SHIKIMIC ACID TO OSELTAMIVIR PHOSPHATE F. HOFFMANN-LA ROCHE AG (CH) 2009-03-26 WO claimed
EP-1791808-A1 PROCESS FOR THE PREPARATION OF 4,5-DIAMINO SHIKIMICACID F.HOFFMANN-LA ROCHE AG (CH) 2007-06-06 EP claimed
WO-2006024436-A1 PROCESS FOR THE PREPARATION OF 4,5-DIAMINO SHIKIMICACID F. HOFFMANN-LA ROCHE AG (CH) 2006-03-09 WO claimed
US-20060047002-A1 Process for the preparation of 4,5-diamino shikimic acid derivatives HOFFMANN-LA ROCHE INC. 2006-03-02 US claimed
US-7977077-B2 Synthesis of intermediates of oseltamivir carboxylates BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2011-07-12 US disclosed
CN-101010289-B Method for preparing 4, 5-diamino shikimic acid HOFFMANN LA ROCHE 2011-05-25 CN disclosed
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
US-20070190621-A1 Synthesis of oseltamivir carboxylates BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-08-16 US disclosed
CN-101010289-A Method for preparing 4, 5-diamino shikimic acid HOFFMANN LA ROCHE (CH) 2007-08-01 CN 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 OAT 1892/4885GABRR1 1836/4885ABAT 1307/4885

“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.