SCHEMBL1378508

SCHEMBL1378508

CCOC(=O)O[PH](=O)OC(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
SOAT1 P35610 1/20 0.55
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
HCAR2 Q8TDS4 1/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33

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
SCHEMBL27542755 0.88 ALDH1A1 (0.52) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL28985293 0.86 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10ALOX15
Butane SCHEMBL10781718 0.84 ALDH1A1 (0.48) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL1378513 0.82
SCHEMBL1332089 0.76
SCHEMBL3673 0.76
SCHEMBL1958756 0.76 ALDH1A1 (1.00) ALDH1A1SOAT1LMNAHSD17B10ALOX15
Ether SCHEMBL9502656 0.75 ALDH1A1 (0.81) ALDH1A1SOAT1LMNAHSD17B10ALOX15
Charcoal, Activated SCHEMBL1901032 0.74
Water SCHEMBL22362219 0.74

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-20130316969-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2013-11-28 US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. 2006-02-16 US disclosed
EP-1620110-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
US-20050256078-A1 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds GILEAD SCIENCES, INC. 2005-11-17 US disclosed
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound GILEAD SCIENCES, INC. 2005-09-29 US disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 WO disclosed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096287-A2 INOSINE MONOPHOSPHATE DEHYDROGENASE INHIBITORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO 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 (10 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-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG ALDH1A1 4028/4885SOAT1 1233/4885LMNA 4759/4885
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ALDH1A1 4754/4885SOAT1 2327/4885LMNA 2918/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ALDH1A1 4754/4885SOAT1 2327/4885LMNA 2918/4885
US-20130316969-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ALDH1A1 4754/4885SOAT1 2327/4885LMNA 2918/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG ALDH1A1 4028/4885SOAT1 1233/4885LMNA 4759/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ALDH1A1 4754/4885SOAT1 2327/4885LMNA 2918/4885
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound EIF2AK2, PNP, NUDT1 ALDH1A1 3720/4885SOAT1 1658/4885LMNA 2901/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES ALDH1A1 3467/4885SOAT1 3727/4885LMNA 2591/4885
US-20050256078-A1 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds IMPDH1, IMPDH2, ITPA ALDH1A1 312/4885SOAT1 1135/4885LMNA 2317/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN ALDH1A1 3678/4885SOAT1 2753/4885LMNA 2680/4885

“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.