SCHEMBL5595548

SCHEMBL5595548

CCCCNCCP(=O)(O)O

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 12/20 0.73
S1PR1 P21453 12/20 0.73
S1PR3 Q99500 12/20 0.73
S1PR4 O95977 8/20 0.73
S1PR5 Q9H228 3/20 0.73
LPAR2 Q9HBW0 4/20 0.56
LPAR3 Q9UBY5 3/20 0.56
ANPEP P15144 1/20 0.48
ERAP2 Q6P179 1/20 0.48
MMP2 P08253 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MMP1 P03956 1/20 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
SCHEMBL5985309 0.93 S1PR2 (0.84) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL7607225 0.91 S1PR2 (0.88) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL5595619 0.91 S1PR2 (0.88) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL5595569 0.91 S1PR2 (0.88) S1PR2S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL5595461 0.89 S1PR2 (0.85) S1PR2S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL5595552 0.89 S1PR2 (0.85) S1PR2S1PR1S1PR3S1PR4S1PR5
Phosphoric Acid SCHEMBL2776513 0.87 S1PR2 (0.61) S1PR2S1PR1S1PR3S1PR4S1PR5
Phosphoric Acid SCHEMBL2776516 0.87 S1PR2 (0.61) S1PR2S1PR1S1PR3S1PR4S1PR5
Medronic Acid SCHEMBL10395387 0.86 S1PR2 (0.61) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL5595395 0.85 S1PR2 (0.59) S1PR2S1PR1S1PR3S1PR4S1PR5

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 9 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
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.