SCHEMBL2734819

SCHEMBL2734819

CCCCCCCCOC(=O)[C@@H](N)CC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
NOD1 Q9Y239 1/20 0.49
TSHR P16473 3/20 0.48
HTR2C P28335 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 5/20 0.44

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
SCHEMBL8073073 1.00 NAAA (0.53) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL13797805 1.00 NAAA (0.53) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL13496604 1.00 NAAA (0.53) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL28214264 1.00 NAAA (0.53) NAAAEPHX1NOD1TSHRHTR2C
Hydrochloric Acid SCHEMBL8073071 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
Hydrochloric Acid SCHEMBL27687913 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
Hydrochloric Acid SCHEMBL215954 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL5309795 0.98 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL2734881 0.92 ALDH1A1 (0.52) NAAAEPHX1NOD1TSHRHCAR2
SCHEMBL2734865 0.92 ALDH1A1 (0.52) NAAAEPHX1NOD1TSHRHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101816664-B Phosphonates, monophosphonamidates, bisphosphonamidates for the treatment of viral diseases GILEAD SCIENCES INC 2012-04-18 CN disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
CN-101816664-A The phosphonate ester, mono phosphonic acid amidate, the two phosphonic acid amide thing that are used for the treatment of viral disease GILEAD SCIENCES INC 2010-09-01 CN disclosed
EP-2204374-A1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES, INC. (US) 2010-07-07 EP disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US 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 (1 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-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 NAAA 4650/4885EPHX1 1036/4885NOD1 1383/4885

“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.