SCHEMBL904362

SCHEMBL904362

CCOC(OCC)(OS(=O)(=O)c1ccc(C)cc1)[PH2]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 4/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
VDR P11473 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL6055321 0.78 GAA (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2383188 0.75 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
Ethylene Glycol SCHEMBL15272693 0.73 KMT2A (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8394723 0.71 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8796333 0.71 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL26613616 0.71 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL28611540 0.71 KMT2A (0.39) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL777187 0.70 GAA (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29367126 0.70 GAA (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL76249 0.70 GAA (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759515-B2 Process for the preparation of tenofovir disoproxil fumarate MYLAN LABORATORIES LIMITED (IN) 2014-06-24 US claimed
EP-2545063-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE Matrix Laboratories Ltd (IN) 2013-01-16 EP claimed
US-20130005969-A1 PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE MYLAN LABORATORIES LIMITED (IN) 2013-01-03 US claimed
WO-2011111074-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE MATRIX LABORATORIES LTD (IN) 2011-09-15 WO claimed
EP-2362731-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
US-8759515-B2 Process for the preparation of tenofovir disoproxil fumarate MYLAN LABORATORIES LIMITED (IN) 2014-06-24 US disclosed
US-8759515-B2 Process for the preparation of tenofovir disoproxil fumarate MYLAN LABORATORIES LIMITED (IN) 2014-06-24 US disclosed
EP-2545063-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE Matrix Laboratories Ltd (IN) 2013-01-16 EP disclosed
EP-2545063-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE Matrix Laboratories Ltd (IN) 2013-01-16 EP disclosed
US-20130005969-A1 PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE MYLAN LABORATORIES LIMITED (IN) 2013-01-03 US disclosed
US-20130005969-A1 PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE MYLAN LABORATORIES LIMITED (IN) 2013-01-03 US disclosed
US-8329914-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2012-12-11 US disclosed
WO-2011111074-A3 AN IMPROVED PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE MATRIX LABORATORIES LTD (IN) 2012-03-29 WO disclosed
WO-2011111074-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE MATRIX LABORATORIES LTD (IN) 2011-09-15 WO disclosed
WO-2011111074-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE MATRIX LABORATORIES LTD (IN) 2011-09-15 WO disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 US disclosed
EP-2362731-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2011-09-07 EP disclosed
WO-2010051206-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
EP-1742642-B1 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2008-10-15 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-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 ALDH1A1 1887/4885CYP3A4 2052/4885CYP2C9 3321/4885
US-20130005969-A1 PROCESS FOR THE PREPARATION OF TENOFOVIR DISOPROXIL FUMARATE TYMP, PNP, MTAP ALDH1A1 3768/4885CYP3A4 139/4885CYP2C9 196/4885

“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.