SCHEMBL2829344

SCHEMBL2829344

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
KMT2A Q03164 1/20 0.55
NEU1 Q99519 1/20 0.46

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
SCHEMBL6396236 1.00 MEN1 (0.55) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL5718132 0.85 MEN1 (0.52) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL3654779 0.85 MEN1 (0.52) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL11897993 0.85 MEN1 (0.52) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL11897994 0.85 MEN1 (0.52) MEN1LMNACYP3A4KMT2ANEU1
Hydrochloric Acid SCHEMBL5718127 0.84 MEN1 (0.51) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL6393058 0.84 MEN1 (0.57) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL2831734 0.83 MEN1 (0.46) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL1255103 0.82 MEN1 (0.48) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL17145147 0.82 MEN1 (0.48) 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 10 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
US-6939986-B2 Process for preparing 1,2-diamino compounds HOFFMANN-LA ROCHE INC. (US) 2005-09-06 US disclosed
EP-1059283-B1 Process for preparing neuraminidase inhibitor ro-64-0796 HOFFMANN LA ROCHE (CH) 2003-05-28 EP disclosed
US-6437171-B1 AZIDE-FREE; PREPARING 2-AMINOALCOHOLS FROM 1,2-EPOXIDES AND AN AMINE; PROTECTING THE FREE AMINO GROUP, HYDROXY LEAVING GROUP, DEPROTECTING, REACTING WITH AN AMINE, ACYLATING, DEPROTECTING HOFFMAN-LA ROCHE INC. 2002-08-20 US disclosed
US-20020095040-A1 Process for preparing 1,2-diamino compounds KARPF MARTIN (CH) 2002-07-18 US disclosed
EP-1059283-A1 Process for preparing neuraminidase inhibitor ro-64-0796 F. HOFFMANN-LA ROCHE AG (CH) 2000-12-13 EP 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-20020095040-A1 Process for preparing 1,2-diamino compounds AOC1, UGT1A1, THPO MEN1 375/4885LMNA 2657/4885CYP3A4 44/4885
US-20060047002-A1 Process for the preparation of 4,5-diamino shikimic acid derivatives NEU4, NEU1, NEU3 MEN1 3031/4885LMNA 2678/4885CYP3A4 209/4885

“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.