SCHEMBL2828107

SCHEMBL2828107

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

nearest known ligand 0.70

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 0.49

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
SCHEMBL8522763 1.00 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15259238 0.89 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL12872270 0.89 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15374789 0.88 MEN1 (0.61) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL125997 0.88 MEN1 (0.61) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15986522 0.87 MEN1 (0.57) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL12708803 0.85 MEN1 (0.58) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL13887892 0.84 MEN1 (0.57) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL9911975 0.84 MEN1 (0.56) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL28589327 0.84 MEN1 (0.57) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059283-B1 Process for preparing neuraminidase inhibitor ro-64-0796 HOFFMANN LA ROCHE (CH) 2003-05-28 EP claimed
US-20020095040-A1 Process for preparing 1,2-diamino compounds KARPF MARTIN (CH) 2002-07-18 US claimed
EP-1059283-A1 Process for preparing neuraminidase inhibitor ro-64-0796 F. HOFFMANN-LA ROCHE AG (CH) 2000-12-13 EP claimed
US-9150498-B2 Process for the preparation of oseltamivir and methyl 3-epi-shikimate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-06 US disclosed
US-9150498-B2 Process for the preparation of oseltamivir and methyl 3-epi-shikimate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-06 US disclosed
US-20140243537-A1 PROCESS FOR THE PREPARATION OF OSELTAMIVIR AND METHYL 3-EPI-SHIKIMATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-28 US disclosed
US-20140243537-A1 PROCESS FOR THE PREPARATION OF OSELTAMIVIR AND METHYL 3-EPI-SHIKIMATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-28 US disclosed
US-8524940-B2 Nitro group-containing ether compound and method for producing same NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2013-09-03 US disclosed
US-8524940-B2 Nitro group-containing ether compound and method for producing same NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2013-09-03 US disclosed
US-20120130092-A1 NITRO GROUP-CONTAINING ETHER COMPOUND AND METHOD FOR PRODUCING SAME NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-05-24 US 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
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 (4 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-20140243537-A1 PROCESS FOR THE PREPARATION OF OSELTAMIVIR AND METHYL 3-EPI-SHIKIMATE CYP51A1, CYP2B6, CYP2C8 MEN1 4095/4885LMNA 4533/4885CYP3A4 14/4885
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
US-20120130092-A1 NITRO GROUP-CONTAINING ETHER COMPOUND AND METHOD FOR PRODUCING SAME G6PD, TALDO1, DERA MEN1 3456/4885LMNA 3882/4885CYP3A4 31/4885

“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.