SCHEMBL125997

SCHEMBL125997

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

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
KMT2A Q03164 1/20 0.61
NEU1 Q99519 1/20 0.48

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
SCHEMBL15374789 1.00 MEN1 (0.61) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15481360 0.92 MEN1 (0.53) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15481362 0.92 MEN1 (0.56) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15481361 0.92 MEN1 (0.53) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15259238 0.88 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15929806 0.88 MEN1 (0.56) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL2828107 0.88 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL12872270 0.88 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL8522763 0.88 MEN1 (0.62) MEN1LMNACYP3A4KMT2ANEU1
SCHEMBL15983809 0.87 MEN1 (0.53) 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
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 US disclosed
US-9250238-B2 Pathogen detection PURDUE RESEARCH FOUNDATION (US) 2016-02-02 US disclosed
US-9181281-B2 Prodrugs of neuraminidase inhibitors SineVir Therapeutics LLC (US) 2015-11-10 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-9139514-B2 Process for producing oseltamivir phosphate and intermediate compound SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2015-09-22 US disclosed
US-9132126-B2 Phenyl-isoxazole derivatives and preparation process thereof IL-YANG PHARM. CO., LTD. (KR) 2015-09-15 US disclosed
US-9040738-B2 Intermediate compounds of tamiflu, methods of preparation and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-25 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-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-07 US disclosed
US-20140155350-A1 Prodrugs of Neuraminidase Inhibitors SineVir Therapeutics LLC (US) 2014-06-05 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-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM. CO., LTD. (KR) 2014-01-30 US disclosed
US-20130296600-A1 PROCESS FOR PRODUCING OSELTAMIVIR PHOSPHATE AND INTERMEDIATE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-11-07 US disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
US-8501980-B2 Process for producing oseltamivir phosphate and intermediate compound SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-08-06 US disclosed
US-20130196872-A1 PATHOGEN DETECTION PURDUE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20120058937-A9 Prodrugs of Neuraminidase Inhibitors TSRL, INC. (US) 2012-03-08 US disclosed
US-20110160127-A1 Prodrugs of Neuraminidase Inhibitors TSRL, INC. (US) 2011-06-30 US disclosed
US-20110082302-A1 Process for Producing Oseltamivir Phosphate and Intermediate Compound SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2011-04-07 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 (12 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-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 MEN1 4824/4885LMNA 3149/4885CYP3A4 2263/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 MEN1 4824/4885LMNA 3149/4885CYP3A4 2263/4885
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-20110160127-A1 Prodrugs of Neuraminidase Inhibitors NEU1, ANPEP, NEU4 MEN1 3525/4885LMNA 1938/4885CYP3A4 416/4885
US-20120058937-A9 Prodrugs of Neuraminidase Inhibitors NEU1, ANPEP, NEU4 MEN1 3525/4885LMNA 1938/4885CYP3A4 416/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 MEN1 4824/4885LMNA 3149/4885CYP3A4 2263/4885
US-20140155350-A1 Prodrugs of Neuraminidase Inhibitors NEU1, ANPEP, NEU4 MEN1 3525/4885LMNA 1938/4885CYP3A4 416/4885
US-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF PIR, ALPL, PIGS MEN1 4678/4885LMNA 1031/4885CYP3A4 6/4885
US-20110082302-A1 Process for Producing Oseltamivir Phosphate and Intermediate Compound CYP2B6, CYP2D6, UMPS MEN1 1634/4885LMNA 4441/4885CYP3A4 6/4885
US-20130296600-A1 PROCESS FOR PRODUCING OSELTAMIVIR PHOSPHATE AND INTERMEDIATE COMPOUND CYP2B6, CYP2D6, UMPS MEN1 1634/4885LMNA 4441/4885CYP3A4 6/4885
US-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF NNMT, FLT3, TPMT MEN1 2258/4885LMNA 1845/4885CYP3A4 13/4885

“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.