SCHEMBL1374978

SCHEMBL1374978

CCOC(=O)C(C)NP(=O)(CCN)Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 11/20 0.67
LMNA P02545 1/20 0.42
HPRT1 P00492 1/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
PRTN3 P24158 1/20 0.40
ANPEP P15144 1/20 0.39
LAP3 P28838 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL14042943 1.00 BTN3A1 (0.67) BTN3A1LMNAHPRT1F2PLG
SCHEMBL3182471 1.00 BTN3A1 (0.67) BTN3A1LMNAHPRT1F2PLG
SCHEMBL13538536 0.93 BTN3A1 (0.65) BTN3A1LMNAHPRT1F2PLG
SCHEMBL16587340 0.91 BTN3A1 (0.65) BTN3A1LMNAHPRT1F2PLG
SCHEMBL14613458 0.91 BTN3A1 (0.62) BTN3A1LMNAHPRT1F2PLG
SCHEMBL19441149 0.90 BTN3A1 (0.70) BTN3A1LMNAF2PLGPLAU
SCHEMBL19441145 0.90 BTN3A1 (0.70) BTN3A1LMNAF2PLGPLAU
SCHEMBL13944114 0.89 BTN3A1 (0.72) BTN3A1LMNAF2PLGPLAU
SCHEMBL13968062 0.89 BTN3A1 (0.72) BTN3A1LMNAF2PLGPLAU
SCHEMBL14260054 0.88 BTN3A1 (0.67) BTN3A1LMNAF2PLGPLAU

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 33 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
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-2005044308-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES GILEAD SCIENCES, INC. (US) 2005-05-19 WO disclosed
WO-2005039552-A2 INOSINE MONOPHOSPHATE DEHYDROGENASE INHIBITORS AS PHOSPHONATE DERIVATIVES GILEAD SCIENCES, INC. (US) 2005-05-06 WO 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 (9 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP BTN3A1 3840/4885LMNA 2918/4885HPRT1 106/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP BTN3A1 3840/4885LMNA 2918/4885HPRT1 106/4885
US-20130316969-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP BTN3A1 3840/4885LMNA 2918/4885HPRT1 106/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG BTN3A1 493/4885LMNA 4759/4885HPRT1 813/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP BTN3A1 3840/4885LMNA 2918/4885HPRT1 106/4885
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 BTN3A1 4481/4885LMNA 2901/4885HPRT1 72/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES BTN3A1 1734/4885LMNA 2591/4885HPRT1 1172/4885
US-20050256078-A1 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds IMPDH1, IMPDH2, ITPA BTN3A1 4856/4885LMNA 2317/4885HPRT1 48/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN BTN3A1 3372/4885LMNA 2680/4885HPRT1 747/4885

“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.