SCHEMBL5595616

SCHEMBL5595616

CCCCCC(C)NCCP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.50
S1PR1 P21453 10/20 0.50
S1PR3 Q99500 10/20 0.50
S1PR4 O95977 9/20 0.50
FDPS P14324 5/20 0.50
S1PR5 Q9H228 1/20 0.49
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 1/20 0.48
LAP3 P28838 2/20 0.47

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
SCHEMBL5595614 1.00 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4FDPS
Hydrochloric Acid SCHEMBL5595645 0.98 S1PR2 (0.49) S1PR2S1PR1S1PR3S1PR4FDPS
Hydrochloric Acid SCHEMBL5595545 0.98 S1PR2 (0.49) S1PR2S1PR1S1PR3S1PR4FDPS
Hydrochloric Acid SCHEMBL5595549 0.98 S1PR2 (0.49) S1PR2S1PR1S1PR3S1PR4FDPS
SCHEMBL5985301 0.87 FDPS (0.45) S1PR2S1PR1S1PR3S1PR4FDPS
SCHEMBL5985307 0.87 FDPS (0.45) S1PR2S1PR1S1PR3S1PR4FDPS
SCHEMBL9320336 0.77 LPAR3 (0.56) S1PR2S1PR1S1PR3FDPSS1PR5
Hydrochloric Acid SCHEMBL5595564 0.77 PPARD (0.38) FDPS
SCHEMBL17808429 0.76 ADH1B (0.48)
SCHEMBL11225078 0.76 ADH1B (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064254-B1 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIV SASKATCHEWAN (CA) 2007-10-17 EP claimed
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2005-07-21 US claimed
JP-2002507591-A 2002-03-12 JP claimed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP claimed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 WO claimed
EP-1064254-B1 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIV SASKATCHEWAN (CA) 2007-10-17 EP disclosed
US-6984754-B1 Aliphatic amino carboxylic and amino phosphonic acids amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2006-01-10 US disclosed
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2005-07-21 US disclosed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP disclosed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 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 (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-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents CHAMP1, PYCR1, PRMT5 S1PR2 1230/4885S1PR1 948/4885S1PR3 318/4885

“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.