(Pentylamino)Methylenediphosphonic Acid

(Pentylamino)Methylenediphosphonic Acid

SCHEMBL6532378

CCCCCNC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.53

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.53
S1PR4 O95977 5/20 0.53
S1PR1 P21453 5/20 0.53
S1PR3 Q99500 5/20 0.53
S1PR5 Q9H228 1/20 0.53
ANPEP P15144 1/20 0.52
ERAP2 Q6P179 1/20 0.52
FDPS P14324 5/20 0.50
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 1/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
LAP3 P28838 2/20 0.47
MMP2 P08253 1/20 0.42
EPHX1 P07099 1/20 0.41

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
(Hexylamino)Methylenediphosphonic Acid SCHEMBL11773128 0.98 S1PR2 (0.57) S1PR2S1PR4S1PR1S1PR3S1PR5
(Octylamino)Methylenediphosphonic Acid SCHEMBL11793636 0.98 S1PR2 (0.57) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL3977101 0.98 S1PR2 (0.57) S1PR2S1PR4S1PR1S1PR3S1PR5
(Butylamino)Methylenediphosphonic Acid SCHEMBL7786904 0.93 MMP2 (0.48) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL17187190 0.85 S1PR2 (0.40) S1PR2S1PR4S1PR1S1PR3S1PR5
(Propylamino)Methylenediphosphonic Acid SCHEMBL8817761 0.83 MMP2 (0.50) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL7613205 0.78 FNTA (0.53) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL1123699 0.78 FNTA (0.53) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL7619688 0.78 FNTA (0.53) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL3976913 0.78 FNTA (0.53) S1PR2S1PR4S1PR1S1PR3S1PR5

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-0781298-B1 N-ACYL AMINOMETHYLENE PHOSPHONATES AND THEIR USE IN WATERBORNE COATING COMPOSITIONS PPG INDUSTRIES INC (US) 1998-05-13 EP claimed
US-6913830-B2 Coating compositions containing semiconductor colorants PPG INDUSTRIES OHIO, INC. (US) 2005-07-05 US disclosed
US-20050034634-A1 COATING COMPOSITIONS CONTAINING SEMICONDUCTOR COLORANTS PPG INDUSTRIES OHIO, INC. 2005-02-17 US disclosed
US-6710149-B2 USE OF ACRYLOPHOSPHONIC ACID AS A COMPONENT OF AN ADHESIVE, OF A POLYMER, OF A COMPOSITE, OF A CEMENT, OF A MOLDED ARTICLE AND IN PARTICULAR OF A DENTAL MATERIAL IVOCLAR VIVADENT AG (LI) 2004-03-23 US disclosed
US-6350839-B2 THE MONOESTER OF THE PHOSPHONIC ACID GROUP ALSO HAS IMPROVED SOLUBILITY IN POLAR ORGANIC SOLVENTS, AND WATER THAN THE CORRESPONDING ACID; USE IN DENTISTRY IVOCLAR VIVADENT AG (LI) 2002-02-26 US disclosed
US-20020016384-A1 Hydrolysis-stable and polymerizable acrylophosphonic acid IVOCLAR VIVADENT AG. 2002-02-07 US disclosed
US-20010044513-A1 Hydrolysis-stable and polymerizable acrylophosphonic acid monoesters IVOCLAR VIVADENT AG 2001-11-22 US disclosed
US-6299979-B1 GONIOCHROMATICITY; METAL-FREE; SIMULATE METALLIC LUSTER; POLYMER LAYERS OF VARYING REFRACTIVE INDICES PPG INDUSTRIES OHIO, INC. 2001-10-09 US disclosed
JP-2000136215-A N-ACYLAMINOMETHYLENEPHOSPHONATE AND ITS USE IN AQUEOUS COATING COMPOSITION PPG IND OHIO INC 2000-05-16 JP disclosed
US-3957160-A Process for the prevention of precipitations in water or aqueous solutions HENKEL & CIE G.M.B.H. (DT) 1976-05-18 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-20020016384-A1 Hydrolysis-stable and polymerizable acrylophosphonic acid PHOSPHO1, PPA1, ABHD16A S1PR2 1990/4885S1PR4 2542/4885S1PR1 1045/4885

“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.