SCHEMBL1447650

SCHEMBL1447650

CC(C)(C)OC(=O)C(O)C[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.35
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2C19 P33261 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL28293955 0.78 ALDH1A1 (0.42) CPA1ALDH1A1CYP2C19
SCHEMBL28677669 0.76 CPA1 (0.41) CPA1ALDH1A1
SCHEMBL19853003 0.75 CPA1 (0.39) CPA1ALDH1A1CYP2C19
SCHEMBL15779329 0.73 CTSK (0.40) ALDH1A1CYP2C19
SCHEMBL116798 0.73 OR51E2 (0.40)
SCHEMBL473223 0.73 TSHR (0.36)
SCHEMBL1485462 0.73 TSHR (0.36)
SCHEMBL473139 0.73 TSHR (0.36)
SCHEMBL5667907 0.71 NOS1 (0.35)
SCHEMBL6799320 0.71 NOS1 (0.35)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139514-B2 Process for producing oseltamivir phosphate and intermediate compound SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2015-09-22 US disclosed
EP-2301911-B1 PROCESS FOR PRODUCING OSELTAMIVIR PHOSPHATE AND INTERMEDIATE COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-08-19 EP disclosed
CN-102046592-B Preparation method of oseltamivir phosphate and intermediate compound UNIV TOKYO SCI EDUC FOUND 2014-12-10 CN disclosed
US-20130296600-A1 PROCESS FOR PRODUCING OSELTAMIVIR PHOSPHATE AND INTERMEDIATE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-11-07 US disclosed
CN-103288696-A Intermediate compound of oseltamivir phosphate UNIV TOKYO SCI EDUC FOUND 2013-09-11 CN disclosed
US-8501980-B2 Process for producing oseltamivir phosphate and intermediate compound SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-08-06 US disclosed
CN-102046592-A Preparation method of oseltamivir phosphate and intermediate compound UNIV TOKYO SCI EDUC FOUND 2011-05-04 CN disclosed
US-20110082302-A1 Process for Producing Oseltamivir Phosphate and Intermediate Compound SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2011-04-07 US disclosed
EP-2301911-A1 PROCESS FOR PRODUCING OSELTAMIVIR PHOSPHATE AND INTERMEDIATE COMPOUND Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2011-03-30 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-20110082302-A1 Process for Producing Oseltamivir Phosphate and Intermediate Compound CYP2B6, CYP2D6, UMPS CPA1 3478/4885ITGA4 1396/4885ITGB7 1975/4885
US-20130296600-A1 PROCESS FOR PRODUCING OSELTAMIVIR PHOSPHATE AND INTERMEDIATE COMPOUND CYP2B6, CYP2D6, UMPS CPA1 3478/4885ITGA4 1396/4885ITGB7 1975/4885

“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.