SCHEMBL3171832

SCHEMBL3171832

O=C(NC(CCCCP(=O)(O)O)C(=O)O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.57
FOLH1 Q04609 2/20 0.56
SIRT2 Q8IXJ6 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
MME P08473 5/20 0.54
ITGB3 P05106 3/20 0.54
ITGAV P06756 3/20 0.54
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
TGM2 P21980 3/20 0.50
KYNU Q16719 1/20 0.50
TACR1 P25103 1/20 0.50
PPARA Q07869 1/20 0.49

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
SCHEMBL13530114 1.00 ECE1 (0.57) ECE1FOLH1SIRT2SIRT1MME
SCHEMBL21174225 0.91 ECE1 (0.54) ECE1FOLH1SIRT2SIRT1MME
SCHEMBL21174139 0.91 ECE1 (0.54) ECE1FOLH1SIRT2SIRT1MME
SCHEMBL57729 0.91 ECE1 (0.54) ECE1FOLH1SIRT2SIRT1MME
SCHEMBL56605 0.90 ECE1 (0.53) ECE1FOLH1SIRT2SIRT1MME
SCHEMBL8387978 0.89 FOLH1 (0.65) ECE1FOLH1SIRT2SIRT1ITGB3
SCHEMBL13530111 0.87 SIRT2 (0.56) ECE1FOLH1SIRT2SIRT1MME
SCHEMBL10421088 0.87 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL12874103 0.86 SIRT2 (0.65) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL12247715 0.86 SIRT2 (0.65) FOLH1SIRT2SIRT1ITGB3ITGAV

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 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-20090156558-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES FARDIS MARIA 2009-06-18 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-7432273-B2 Phosphonate analogs of antimetabolites GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20070027114-A1 Phosphonate analogs of antimetabolites GILEAD SCIENCES INC. 2007-02-01 US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060079478-A1 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. 2006-04-13 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
WO-2005044308-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES GILEAD SCIENCES, INC. (US) 2005-05-19 WO disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS 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 (8 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-20090156558-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES TYMP, PHOSPHO1, PHPT1 ECE1 1541/4885FOLH1 171/4885SIRT2 3421/4885
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG ECE1 1693/4885FOLH1 1385/4885SIRT2 1993/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG ECE1 1693/4885FOLH1 1385/4885SIRT2 1993/4885
US-20060079478-A1 Anti-cancer phosphonate analogs PIK3CA, PHOSPHO1, PTEN ECE1 2821/4885FOLH1 375/4885SIRT2 3197/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES ECE1 831/4885FOLH1 1162/4885SIRT2 3184/4885
US-20070027114-A1 Phosphonate analogs of antimetabolites TYMP, PHOSPHO1, PHPT1 ECE1 1541/4885FOLH1 171/4885SIRT2 3421/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES ECE1 831/4885FOLH1 1162/4885SIRT2 3184/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN ECE1 2821/4885FOLH1 375/4885SIRT2 3197/4885

“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.