SCHEMBL1255103

SCHEMBL1255103

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48
NEU1 Q99519 1/20 0.38

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
SCHEMBL30468091 1.00 MEN1 (0.48) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL17145147 0.89 MEN1 (0.48) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL5718132 0.88 MEN1 (0.52) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL11897994 0.88 MEN1 (0.52) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL3654779 0.88 MEN1 (0.52) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL11897993 0.88 MEN1 (0.52) MEN1LMNACYP3A4KMT2ANEU1
Hydrochloric Acid SCHEMBL5718127 0.87 MEN1 (0.51) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15481367 0.84 MEN1 (0.41) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL3652752 0.84 MEN1 (0.63) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL2829344 0.82 MEN1 (0.55) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011021223-A2 NOVEL SALTS OF ETHYL (3R, 4S, 5R)-4,5-IMINO-3-(L-ETHYLPROPOXY)-1- CVCLOHEXENE-1-CARBOXYLATE AND ITS USE MSN LABORATORIES LIMITED (IN) 2011-02-24 WO 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-20140051756-A1 METHOD FOR PREVENTING OR TREATING ARRHYTHMIA, METHOD FOR PREVENTING OR TREATING ATRIAL FIBRILLATION, MODEL OF SUSTAINED ATRIAL FIBRILLATION, METHOD FOR PRODUCING THE MODEL, AND METHOD FOR SCREENING FOR ATRIAL FIBRILLATION INHIBITOR TOHO UNIVERSITY (JP) 2014-02-20 US disclosed
US-20140051756-A1 METHOD FOR PREVENTING OR TREATING ARRHYTHMIA, METHOD FOR PREVENTING OR TREATING ATRIAL FIBRILLATION, MODEL OF SUSTAINED ATRIAL FIBRILLATION, METHOD FOR PRODUCING THE MODEL, AND METHOD FOR SCREENING FOR ATRIAL FIBRILLATION INHIBITOR TOHO UNIVERSITY (JP) 2014-02-20 US disclosed
US-7915309-B2 Deuterium-enriched oseltamivir PROTIA, LLC (US) 2011-03-29 US disclosed
US-7915309-B2 Deuterium-enriched oseltamivir PROTIA, LLC (US) 2011-03-29 US disclosed
WO-2011021223-A2 NOVEL SALTS OF ETHYL (3R, 4S, 5R)-4,5-IMINO-3-(L-ETHYLPROPOXY)-1- CVCLOHEXENE-1-CARBOXYLATE AND ITS USE MSN LABORATORIES LIMITED (IN) 2011-02-24 WO disclosed
US-7473798-B2 Derivatives of unsaturated, cyclic organic acids ROCHE PALO ALTO LLC (US) 2009-01-06 US disclosed
US-20080319064-A1 DEUTERIUM-ENRICHED OSELTAMIVIR PROTIA, LLC (US) 2008-12-25 US disclosed
US-20080319064-A1 DEUTERIUM-ENRICHED OSELTAMIVIR PROTIA, LLC (US) 2008-12-25 US disclosed
US-20070197807-A1 Derivatives of unsaturated, cyclic organic acids GABEL RICHARD A 2007-08-23 US disclosed
US-20070197807-A1 Derivatives of unsaturated, cyclic organic acids GABEL RICHARD A 2007-08-23 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 (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-20140051756-A1 METHOD FOR PREVENTING OR TREATING ARRHYTHMIA, METHOD FOR PREVENTING OR TREATING ATRIAL FIBRILLATION, MODEL OF SUSTAINED ATRIAL FIBRILLATION, METHOD FOR PRODUCING THE MODEL, AND METHOD FOR SCREENING FOR ATRIAL FIBRILLATION INHIBITOR UGGT1, GUSB, KCNH1 MEN1 3864/4885LMNA 1043/4885CYP3A4 192/4885
US-20070197807-A1 Derivatives of unsaturated, cyclic organic acids ALOX5, VKORC1, ELOVL5 MEN1 4812/4885LMNA 3327/4885CYP3A4 120/4885
US-20080319064-A1 DEUTERIUM-ENRICHED OSELTAMIVIR HDHD5, SLC28A1, SAMHD1 MEN1 4564/4885LMNA 4172/4885CYP3A4 146/4885

“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.